Mock Version: 1.4.21
Mock Version: 1.4.21
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'], chrootPath='/var/lib/mock/f33-build-352752-60046/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x3fc8835700>timeout=432000uid=987gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False)
Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'} and shell False
Building target platforms: riscv64
Building for target riscv64
setting SOURCE_DATE_EPOCH=1600300800
Wrote: /builddir/build/SRPMS/xtb-6.3.3-1.fc33.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'], chrootPath='/var/lib/mock/f33-build-352752-60046/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x3fc8835700>timeout=432000uid=987gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False)
Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;<mock-chroot>\\007"', 'PS1': '<mock-chroot> \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'} and shell False
Building target platforms: riscv64
Building for target riscv64
setting SOURCE_DATE_EPOCH=1600300800
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.sJryFE
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf xtb-6.3.3
+ /usr/bin/gzip -dc /builddir/build/SOURCES/xtb-6.3.3.tar.gz
+ /usr/bin/tar -xof -
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd xtb-6.3.3
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
Patch #0 (xtb-6.3.2-fedora.patch):
+ echo 'Patch #0 (xtb-6.3.2-fedora.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .fedoraver --fuzz=0
patching file meson.build
Patch #2 (xtb-6.3.1-lapack.patch):
+ echo 'Patch #2 (xtb-6.3.1-lapack.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .lapack --fuzz=0
patching file meson/meson.build
+ echo 'Patch #4 (xtb-6.3.2-environment.patch):'
Patch #4 (xtb-6.3.2-environment.patch):
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .env --fuzz=0
patching file src/type/environment.f90
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.oonrKH
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.3
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/meson --buildtype=plain --prefix=/usr --libdir=/usr/lib64 --libexecdir=/usr/libexec --bindir=/usr/bin --sbindir=/usr/sbin --includedir=/usr/include --datadir=/usr/share --mandir=/usr/share/man --infodir=/usr/share/info --localedir=/usr/share/locale --sysconfdir=/etc --localstatedir=/var --sharedstatedir=/var/lib --wrap-mode=nodownload --auto-features=enabled . riscv64-redhat-linux-gnu -Dla_backend=custom -Dcustom_libraries=flexiblas -Dtest_timeout=2000
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
The Meson build system
Version: 0.55.3
Source dir: /builddir/build/BUILD/xtb-6.3.3
Build dir: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu
Build type: native build
Using 'PKG_CONFIG_PATH' from environment with value: ':/usr/lib64/pkgconfig:/usr/share/pkgconfig'
Using 'PKG_CONFIG_PATH' from environment with value: ':/usr/lib64/pkgconfig:/usr/share/pkgconfig'
Project name: xtb
Project version: 6.3.3
Using 'FFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
Using 'CC' from environment with value: 'gcc'
Using 'CFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
Using 'FFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
Fortran compiler for the host machine: gfortran (gcc 10.2.1 "GNU Fortran (GCC) 10.2.1 20201016 (Red Hat 10.2.1-6)")
Fortran linker for the host machine: gfortran ld.bfd 2.35-14
Using 'CC' from environment with value: 'gcc'
Using 'CFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
C compiler for the host machine: gcc (gcc 10.2.1 "gcc (GCC) 10.2.1 20201016 (Red Hat 10.2.1-6)")
C linker for the host machine: gcc ld.bfd 2.35-14
Host machine cpu family: riscv64
Host machine cpu: riscv64
Program git found: NO
Configuring xtb_version.fh using configuration
meson.build:60: WARNING: The variable(s) 'author', 'date', 'origin' in the input file 'assets/templates/version.f90' are not present in the given configuration data.
Library flexiblas found: YES
Run-time dependency OpenMP found: YES 4.5
Run-time dependency threads found: YES
Program asciidoctor found: YES
Configuring xtb.1 with command
Configuring xcontrol.7 with command
Configuring config_env.bash using configuration
Configuring config_env.csh using configuration
Configuring xtb.pc using configuration
Configuring xtb.tcl using configuration
Build targets in project: 5
Option includedir is: include [default: include/xtb]
Option buildtype is: custom [default: debugoptimized]
Found ninja-1.10.1 at /usr/bin/ninja
++ date
+ date='Sat Nov 28 10:22:20 EST 2020'
+ cat
+ /usr/bin/meson compile -C riscv64-redhat-linux-gnu -j 4 --verbose
ninja: Entering directory `riscv64-redhat-linux-gnu'
[1/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_version.f90.o -c ../src/api/version.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/version.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/version.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[2/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_accuracy.f90.o -c ../src/mctc/accuracy.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/accuracy.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/accuracy.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[3/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_math.f.o -c ../src/gfnff/math.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/math.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/math.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/math.f:61:14:
   61 |      ,     rab,rbc,thab,thbc,valijk,
      |              1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/gfnff/math.f:61:18:
   61 |      ,     rab,rbc,thab,thbc,valijk,
      |                  1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/gfnff/math.f:62:30:
   62 |      ,     vecnorm,nan,nbn,rcn,snanb,deter,pi
      |                              1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
[4/541] true
[5/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o -c ../src/mctc/boundaryconditions.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/boundaryconditions.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/boundaryconditions.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[6/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o -c ../src/gfnff/gfnff_rab.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_rab.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_rab.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_rab.f:31:24:
   31 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                        1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:31:27:
   31 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:18:35:
   18 |       subroutine gfnffdrab(n,at,xyz,cn,dcn,nsrb,srblist,rab,grab)
      |                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_rab.f:184:24:
  184 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                        1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:184:27:
  184 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:184:15:
  184 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |               1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
[7/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_mrec.f90.o -c ../src/gfnff/mrec.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/mrec.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/mrec.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[8/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_generator.f90.o -c ../src/gfnff/generator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/generator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/generator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[9/541] true
[10/541] true
[11/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_data.f90.o -c ../src/gfnff/data.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/data.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[12/541] true
[13/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level1.f90.o -c ../src/mctc/blas/level1.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/level1.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/level1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[14/541] true
[15/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_approxrab.f90.o -c ../src/approxrab.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/approxrab.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/approxrab.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/approxrab.f90:216:17:
  216 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:216:21:
  216 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:200:35:
  200 | pure subroutine approx_rab(n,at,xyz,cn,dcndr,nsrb,srblist,shift,rab,grab)
      |                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/approxrab.f90:163:17:
  163 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:163:21:
  163 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:162:19:
  162 |    integer :: i,j,k,m
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:162:21:
  162 |    integer :: i,j,k,m
      |                     1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:168:21:
  168 |    real(wp) :: ff,tmp
      |                     1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:117:17:
  117 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:117:21:
  117 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:116:21:
  116 |    integer :: i,j,k,m
      |                     1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:98:39:
   98 | pure subroutine pbc_approx_rab(n,at,xyz,cn,dcndr,dcndL,nsrb,srblist,shift, &
      |                                       1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
[16/541] true
[17/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_frag_hess.f90.o -c ../src/gfnff/frag_hess.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/frag_hess.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/frag_hess.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/frag_hess.f90:213:36:
  213 |                  rmaxab(atj, ati) = jab(lin(atj, ati))/1.2
      |                                    1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/frag_hess.f90:353:47:
  353 |         integer                  :: i,j,ii,jj,k
      |                                               1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/gfnff/frag_hess.f90:94:43:
   94 |         integer  :: assigned_to_frag(nspin)
      |                                           1
Warning: Unused variable ‘assigned_to_frag’ declared at (1) [-Wunused-variable]
../src/gfnff/frag_hess.f90:524:24:
  524 | pure subroutine com(n,at,xyz,sum3)
      |                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
[18/541] true
[19/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level3.f90.o -c ../src/mctc/blas/level3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/level3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/level3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[20/541] true
[21/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o -c ../src/mctc/blas/wrap1.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/wrap1.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/wrap1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[22/541] true
[23/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_param.f90.o -c ../src/type/param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[24/541] true
[25/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level2.f90.o -c ../src/mctc/blas/level2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/level2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/level2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[26/541] true
[27/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o -c ../src/mctc/lapack/geneigval.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/geneigval.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/geneigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[28/541] true
[29/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o -c ../src/mctc/lapack/stdeigval.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/stdeigval.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/stdeigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[30/541] true
[31/541] true
[32/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_chartools.f90.o -c ../src/mctc/chartools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/chartools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/chartools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[33/541] true
[34/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o -c ../src/mctc/blas/wrap2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/wrap2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/wrap2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[35/541] true
[36/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_io.f90.o -c ../src/mctc/io.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/io.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/io.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[37/541] true
[38/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o -c ../src/mctc/blas/wrap3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/wrap3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/wrap3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/blas/wrap3.f90:77:41:
   77 | subroutine mctc_sgemm233(amat, bmat, cmat, transa, transb, alpha, beta)
      |                                         1
Warning: Unused dummy argument ‘cmat’ at (1) [-Wunused-dummy-argument]
../src/mctc/blas/wrap3.f90:61:31:
   61 |    character(len=1) :: tra, trb
      |                               1
Warning: Unused variable ‘trb’ declared at (1) [-Wunused-variable]
[39/541] true
[40/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_namegen.f90.o -c ../src/mctc/namegen.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/namegen.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/namegen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[41/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_filetypes.f90.o -c ../src/mctc/filetypes.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/filetypes.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/filetypes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[42/541] true
[43/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_runtypes.f90.o -c ../src/mctc/runtypes.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/runtypes.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/runtypes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[44/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_search.f90.o -c ../src/mctc/search.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/search.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/search.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[45/541] true
[46/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_sort.f90.o -c ../src/mctc/sort.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/sort.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/sort.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[47/541] true
[48/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_thresholds.f90.o -c ../src/mctc/thresholds.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/thresholds.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/thresholds.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[49/541] true
[50/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_resize.f90.o -c ../src/mctc/resize.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/resize.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/resize.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/resize.f90:121:27:
  121 |    integer :: length, order, currentLength
      |                           1
Warning: Unused variable ‘order’ declared at (1) [-Wunused-variable]
../src/mctc/resize.f90: In function ‘__xtb_mctc_resize_MOD_resizechar’:
../src/mctc/resize.f90:84: warning: ‘.tmp’ is used uninitialized in this function [-Wuninitialized]
   84 |    character(len=:), allocatable :: tmp(:)
      | 
[51/541] true
[52/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_version.f90.o -c ../src/mctc/version.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/version.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/version.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[53/541] true
[54/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_systools.F90.o -c ../src/mctc/systools.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
[55/541] true
[56/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o -c ../src/disp/dftd3_parameters.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/dftd3_parameters.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/dftd3_parameters.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[57/541] true
[58/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_constants.f90.o -c ../src/mctc/mctc_constants.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_constants.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_constants.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[59/541] true
[60/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_chemical_hardnesses.f90.o -c ../src/mctc/param/chemical_hardnesses.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/param/chemical_hardnesses.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/param/chemical_hardnesses.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[61/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_convert.f90.o -c ../src/mctc/convert.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/convert.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/convert.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[62/541] true
[63/541] true
[64/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_symbols.f90.o -c ../src/mctc/symbols.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/symbols.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/symbols.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[65/541] true
[66/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o -c ../src/mctc/param/atomic_masses.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/param/atomic_masses.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/param/atomic_masses.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[67/541] true
[68/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_covalent_radii.f90.o -c ../src/mctc/param/covalent_radii.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/param/covalent_radii.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/param/covalent_radii.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[69/541] true
[70/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_electronegativities.f90.o -c ../src/mctc/param/electronegativities.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/param/electronegativities.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/param/electronegativities.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[71/541] true
[72/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_pse.f90.o -c ../src/mctc/param/pse.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/param/pse.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/param/pse.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[73/541] true
[74/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o -c ../src/mctc/param/r4r2_expectation_values.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/param/r4r2_expectation_values.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/param/r4r2_expectation_values.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[75/541] true
[76/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_param.f90.o -c ../src/mctc/mctc_param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[77/541] true
[78/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_aoparam.f90.o -c ../src/aoparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/aoparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/aoparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[79/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_timings.f90.o -c ../src/mctc/mctc_timings.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_timings.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_timings.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/mctc_timings.f90:138:28:
  138 |    character(len=8)  :: date
      |                            1
Warning: Unused variable ‘date’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:139:28:
  139 |    character(len=10) :: time
      |                            1
Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:141:34:
  141 |    character(len=31) :: timestring
      |                                  1
Warning: Unused variable ‘timestring’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:142:30:
  142 |    integer(int64) :: values(8)
      |                              1
Warning: Unused variable ‘values’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:140:28:
  140 |    character(len=5)  :: zone
      |                            1
Warning: Unused variable ‘zone’ declared at (1) [-Wunused-variable]
[80/541] true
[81/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas.f90.o -c ../src/mctc/blas.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[82/541] true
[83/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_strings.f90.o -c ../src/mctc/mctc_strings.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_strings.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_strings.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/mctc_strings.f90:282:13:
  282 | if(abs(rnum)>huge(inum)) then
      |             1
Warning: Change of value in conversion from ‘INTEGER(8)’ to ‘REAL(8)’ at (1) [-Wconversion]
../src/mctc/mctc_strings.f90:263:5:
  263 | rnum=rnumd
      |     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
[84/541] true
[85/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_filetools.f90.o -c ../src/mctc/mctc_filetools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_filetools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_filetools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/mctc_filetools.f90:140:38:
  140 |    character(len=:),allocatable :: tmp
      |                                      1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
[86/541] true
[87/541] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ lib_xtb.a.p/src_mctc_signal.c.o -MF lib_xtb.a.p/src_mctc_signal.c.o.d -o lib_xtb.a.p/src_mctc_signal.c.o -c ../src/mctc/signal.c
[88/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_atomicrad.f90.o -c ../src/param/atomicrad.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/atomicrad.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/atomicrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[89/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_atomicmass.f90.o -c ../src/param/atomicmass.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/atomicmass.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/atomicmass.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[90/541] true
[91/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_covalentradd3.f90.o -c ../src/param/covalentradd3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/covalentradd3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/covalentradd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[92/541] true
[93/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_paulingen.f90.o -c ../src/param/paulingen.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/paulingen.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/paulingen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[94/541] true
[95/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o -c ../src/param/sqrtzr4r2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/sqrtzr4r2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/sqrtzr4r2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[96/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_vdwradd3.f90.o -c ../src/param/vdwradd3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/vdwradd3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/vdwradd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[97/541] true
[98/541] true
[99/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o -c ../src/disp/dftd4_parameters.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/dftd4_parameters.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/dftd4_parameters.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[100/541] true
[101/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_buffer.f90.o -c ../src/type/buffer.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/buffer.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/buffer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/buffer.f90:19:8:
   19 |    use iso_fortran_env
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
[102/541] true
[103/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_data.f90.o -c ../src/type/data.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/data.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[104/541] true
[105/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_fragments.f90.o -c ../src/type/fragments.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/fragments.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/fragments.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[106/541] true
[107/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_dispersion_model.f90.o -c ../src/type/dispersion_model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/dispersion_model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/dispersion_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[108/541] true
[109/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_basisset.f90.o -c ../src/type/basisset.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/basisset.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[110/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_atomlist.f90.o -c ../src/type/atomlist.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/atomlist.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/atomlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/atomlist.f90:348:42:
  348 |    character(len=:), allocatable :: buffer
      |                                          1
Warning: Unused variable ‘buffer’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:349:34:
  349 |    integer, allocatable :: list(:)
      |                                  1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:350:26:
  350 |    integer :: pos, last, n
      |                          1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:274:15:
  274 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:256:15:
  256 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:248:15:
  248 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:230:15:
  230 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:165:76:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                                            1
Warning: Unused dummy argument ‘iomsg’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:165:53:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                     1
Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:165:61:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                             1
Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:153:54:
  153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                      1
Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:153:62:
  153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                              1
Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:153:0:
  153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg)
      | 
Warning: ‘atomlist_write_formatted’ defined but not used [-Wunused-function]
../src/type/atomlist.f90:165:0:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      | 
Warning: ‘atomlist_read_formatted’ defined but not used [-Wunused-function]
[111/541] true
[112/541] true
[113/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_topology.f90.o -c ../src/gfnff/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[114/541] true
[115/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_iohandler.f90.o -c ../src/type/iohandler.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/iohandler.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/iohandler.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[116/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_options.f90.o -c ../src/type/options.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/options.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/options.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[117/541] true
[118/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_shake_module.f90.o -c ../src/gfnff/shake_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/shake_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/shake_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/shake_module.f90:71:15:
   71 |        real*8 r, dev,dist,denom
      |               1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:66:20:
   66 |        real*8 vel(3)
      |                    1
Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:64:22:
   64 |        real*8 virsh(3),tstep
      |                      1
Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:32:35:
   32 |        subroutine init_shake(nat,at,xyz,topo)
      |                                   1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/shake_module.f90:43:41:
   43 |        integer list(nat*(nat+1)/2),lin,ij
      |                                         1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:39:29:
   39 |        integer :: iat,jat,i,j,jmin
      |                             1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:39:34:
   39 |        integer :: iat,jat,i,j,jmin
      |                                  1
Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:43:38:
   43 |        integer list(nat*(nat+1)/2),lin,ij
      |                                      1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:43:34:
   43 |        integer list(nat*(nat+1)/2),lin,ij
      |                                  1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:40:24:
   40 |        real*8  :: minrij,rij,wthr
      |                        1
Warning: Unused variable ‘minrij’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:40:28:
   40 |        real*8  :: minrij,rij,wthr
      |                            1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:38:30:
   38 |        real*8  :: wbo(nat,nat)
      |                              1
Warning: Unused variable ‘wbo’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:40:33:
   40 |        real*8  :: minrij,rij,wthr
      |                                 1
Warning: Unused variable ‘wthr’ declared at (1) [-Wunused-variable]
[119/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_pcem.f90.o -c ../src/type/pcem.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/pcem.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/pcem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[120/541] true
[121/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gdisp0.f90.o -c ../src/gfnff/gdisp0.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gdisp0.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gdisp0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gdisp0.f90:103:36:
  103 |    integer :: iat, ati, iref, icount
      |                                    1
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
../src/gfnff/gdisp0.f90:43:36:
   43 |    integer :: iat, ati, iref, icount
      |                                    1
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
../src/gfnff/gdisp0.f90:28:0:
   28 | subroutine weight_references(nat, atoms, wf, cn, gwvec, gwdcn)
      | 
Warning: ‘weight_references’ defined but not used [-Wunused-function]
../src/gfnff/gdisp0.f90:147:0:
  147 | subroutine get_atomic_c6(nat, atoms, gwvec, gwdcn, c6, dc6dcn)
      | 
Warning: ‘get_atomic_c6’ defined but not used [-Wunused-function]
../src/gfnff/gdisp0.f90:347:0:
  347 | real(wp) pure elemental function pair_scale(iat, jat) result(scale)
      | 
Warning: ‘pair_scale’ defined but not used [-Wunused-function]
[122/541] true
[123/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_environment.f90.o -c ../src/type/environment.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/environment.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/environment.f90:245:17:
  245 | subroutine getLog(self, message)
      |                 1
Warning: ‘getlog’ declared at (1) may shadow the intrinsic of the same name.  In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow]
../src/type/environment.f90:254:22:
  254 |    logical :: isError0
      |                      1
Warning: Unused variable ‘iserror0’ declared at (1) [-Wunused-variable]
../src/type/environment.f90:196:18:
  196 |    integer :: iLog
      |                  1
Warning: Unused variable ‘ilog’ declared at (1) [-Wunused-variable]
[124/541] true
[125/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_reader.F90.o -c ../src/type/reader.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
[126/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_gst.f90.o -c ../src/mctc/lapack/gst.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/gst.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/gst.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[127/541] true
[128/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_coulomb_ewald.f90.o -c ../src/coulomb/ewald.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/coulomb/ewald.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/coulomb/ewald.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/coulomb/ewald.f90:389:36:
  389 |    character(len=100) :: errorString
      |                                    1
Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable]
../src/coulomb/ewald.f90:321:36:
  321 |    character(len=100) :: errorString
      |                                    1
Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable]
../src/coulomb/ewald.f90:239:36:
  239 |    character(len=100) :: errorString
      |                                    1
Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable]
[129/541] true
[130/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_setvar.f90.o -c ../src/type/setvar.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/setvar.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/setvar.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[131/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o -c ../src/gfnff/gfnff_param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_param.f90:351:31:
  351 |    subroutine gfnff_set_param(n, gen, param)
      |                               1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
[132/541] true
[133/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_global.f90.o -c ../src/mctc/mctc_global.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_global.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_global.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[134/541] true
[135/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_init.f90.o -c ../src/mctc/mctc_init.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_init.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_init.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/mctc_init.f90:20:7:
   20 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/mctc/mctc_init.f90:20:7:
   20 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
[136/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_trf.f90.o -c ../src/mctc/lapack/trf.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/trf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/trf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/lapack/trf.f90:393:47:
  393 |    integer :: info, n, stat_alloc, stat_dealloc, nn
      |                                               1
Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable]
../src/mctc/lapack/trf.f90:362:47:
  362 |    integer :: info, n, stat_alloc, stat_dealloc, nn
      |                                               1
Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable]
[137/541] true
[138/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_error.f90.o -c ../src/mctc/error.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/error.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/error.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/error.f90:18:34:
   18 | subroutine raise(mode,message,code)
      |                                  1
Warning: Unused dummy argument ‘code’ at (1) [-Wunused-dummy-argument]
[139/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_tri.f90.o -c ../src/mctc/lapack/tri.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/tri.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/tri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[140/541] true
[141/541] true
[142/541] true
[143/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_solvation.f90.o -c ../src/type/solvation.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/solvation.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/solvation.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[144/541] true
[145/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_trs.f90.o -c ../src/mctc/lapack/trs.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/trs.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/trs.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[146/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_eigensolve.f90.o -c ../src/mctc/lapack/eigensolve.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/eigensolve.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/eigensolve.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[147/541] true
[148/541] true
[149/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_timer.f90.o -c ../src/type/timer.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/timer.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/timer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/timer.f90:122:23:
  122 |       msg = self%tag(i)
      |                       1
Warning: CHARACTER expression will be truncated in assignment (26/40) at (1) [-Wcharacter-truncation]
[150/541] true
[151/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_neighbourlist.f90.o -c ../src/type/neighbourlist.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/neighbourlist.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/neighbourlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[152/541] true
[153/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_topology.f90.o -c ../src/type/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/topology.f90:122:31:
  122 |    integer :: pos, last, length
      |                               1
Warning: Unused variable ‘length’ declared at (1) [-Wunused-variable]
../src/type/topology.f90:122:17:
  122 |    integer :: pos, last, length
      |                 1
Warning: Unused variable ‘pos’ declared at (1) [-Wunused-variable]
[154/541] true
[155/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_wavefunction.f90.o -c ../src/type/wavefunction.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/wavefunction.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/wavefunction.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[156/541] true
[157/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o -c ../src/mctc/lapack/wrap.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/wrap.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/wrap.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[158/541] true
[159/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_wsc.f90.o -c ../src/type/wsc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/wsc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[160/541] true
[161/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack.f90.o -c ../src/mctc/lapack.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[162/541] true
[163/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_wignerseitzcell.f90.o -c ../src/type/wignerseitzcell.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/wignerseitzcell.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/wignerseitzcell.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/wignerseitzcell.f90:121:30:
  121 |    integer :: iTr, iAt, iAtOld, jAt, jAtEnd, iWs, nWs
      |                              1
Warning: Unused variable ‘iatold’ declared at (1) [-Wunused-variable]
../src/type/wignerseitzcell.f90:122:37:
  122 |    real(wp) :: ri(3), dist2, trans(3), wsWeight
      |                                     1
Warning: Unused variable ‘trans’ declared at (1) [-Wunused-variable]
../src/type/wignerseitzcell.f90: In function ‘__xtb_type_wignerseitzcell_MOD_generate’:
../src/type/wignerseitzcell.f90:202: warning: ‘nws’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  202 |          call bisectSearch(nWs, wsDist2(1:nWs), wsDist2(1)+wsTol2, tolSameDist2)
      | 
[164/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_vendordata.f90.o -c ../src/type/vendordata.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/vendordata.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/vendordata.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[165/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_freq_utils.f90.o -c ../src/freq/utils.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/freq/utils.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/freq/utils.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[166/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_restart.f90.o -c ../src/type/restart.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/restart.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/restart.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[167/541] true
[168/541] true
[169/541] true
[170/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_math.f90.o -c ../src/mctc/math.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/math.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/math.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/math.f90:171:17:
  171 |    integer   i, j
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
[171/541] true
[172/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_cm5.f90.o -c ../src/solv/cm5.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/cm5.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/cm5.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/cm5.f90:34:25:
   34 | real(wp) :: dist,bkk,bkkd,bkkda
      |                         1
Warning: Unused variable ‘bkkd’ declared at (1) [-Wunused-variable]
[173/541] true
[174/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_born.f90.o -c ../src/solv/born.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/born.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/born.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/born.f90:141:34:
  141 |    real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12
      |                                  1
Warning: Unused variable ‘rh2’ declared at (1) [-Wunused-variable]
../src/solv/born.f90:70:27:
   70 |    real(wp) :: th, ch, alpi, beti, gami
      |                           1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/solv/born.f90:70:33:
   70 |    real(wp) :: th, ch, alpi, beti, gami
      |                                 1
Warning: Unused variable ‘beti’ declared at (1) [-Wunused-variable]
../src/solv/born.f90:70:39:
   70 |    real(wp) :: th, ch, alpi, beti, gami
      |                                       1
Warning: Unused variable ‘gami’ declared at (1) [-Wunused-variable]
../src/solv/born.f90: In function ‘__xtb_solv_born_MOD_compute_bornr’:
../src/solv/born.f90:305: warning: ‘r1’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  305 |          dgj = -2.0_wp*rhab/ab+(rhab-lnab)*r1*r1
      | 
../src/solv/born.f90:141:38: note: ‘r1’ was declared here
  141 |    real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12
      |                                      ^
[175/541] true
[176/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_linalg.f90.o -c ../src/mctc/linalg.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/linalg.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/linalg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/linalg.f90:306:34:
  306 |    real(dp),allocatable :: temp(:)
      |                                  1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/mctc/linalg.f90:271:34:
  271 |    real(sp),allocatable :: temp(:)
      |                                  1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
[177/541] true
[178/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_sasa.f90.o -c ../src/solv/sasa.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/sasa.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/sasa.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/sasa.f90:162:21:
  162 |    real(wp) :: uj,uj3,ah3uj2
      |                     1
Warning: Unused variable ‘uj3’ declared at (1) [-Wunused-variable]
../src/solv/sasa.f90:76:18:
   76 |    integer iat,jat
      |                  1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/solv/sasa.f90:77:24:
   77 |    integer ip,jj,nnj,nnk
      |                        1
Warning: Unused variable ‘nnk’ declared at (1) [-Wunused-variable]
[179/541] true
[180/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_state.f90.o -c ../src/solv/state.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/state.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/state.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[181/541] true
[182/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_kernel.f90.o -c ../src/solv/kernel.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/kernel.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/kernel.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/kernel.f90:731:31:
  731 |    real(wp) :: r1, ab, arg, eab, fgb, dfgb, bp
      |                               1
Warning: Unused variable ‘eab’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:677:30:
  677 |    real(wp) :: aa, r2, gg, arg, bp
      |                              1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:678:28:
  678 |    real(wp) :: dd, expd, fgb, fgb2, dfgb
      |                            1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:677:25:
  677 |    real(wp) :: aa, r2, gg, arg, bp
      |                         1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:672:24:
  672 |    integer  :: i, j, nnj
      |                        1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:618:30:
  618 |    real(wp) :: aa, r2, gg, arg, bp
      |                              1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:618:34:
  618 |    real(wp) :: aa, r2, gg, arg, bp
      |                                  1
Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:613:24:
  613 |    integer  :: i, j, nnj
      |                        1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:527:26:
  527 |    real(wp) :: gg,expa,aii,egb
      |                          1
Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:33:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:525:33:
  525 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:527:22:
  527 |    real(wp) :: gg,expa,aii,egb
      |                      1
Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:525:24:
  525 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                        1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:527:17:
  527 |    real(wp) :: gg,expa,aii,egb
      |                 1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:520:19:
  520 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:520:23:
  520 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:526:52:
  526 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                                    1
Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:24:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:28:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:20:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:423:26:
  423 |    real(wp) :: gg,expa,aii,egb
      |                          1
Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:33:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:421:33:
  421 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:416:19:
  416 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:416:23:
  416 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:24:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:28:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:20:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:311:54:
  311 |    real(wp) :: dEdbri, dEdbrj, dG(3), ap, bp, dS(3, 3)
      |                                                      1
Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:310:61:
  310 |    real(wp) :: vec(3), r2, r1, ab, arg1, arg16, qq, fgb, fgb2, dfgb, dfgb2, egb
      |                                                             1
Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:36:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                                    1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:208:37:
  208 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                                     1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:210:23:
  210 |    real(wp) :: gg, expa
      |                       1
Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:208:26:
  208 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                          1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:210:17:
  210 |    real(wp) :: gg, expa
      |                 1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:204:21:
  204 |    integer :: i, j, k, nnj
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:204:26:
  204 |    integer :: i, j, k, nnj
      |                          1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:209:65:
  209 |    real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg
      |                                                                 1
Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:25:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                         1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:30:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                              1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:20:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:36:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                                    1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:100:37:
  100 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                                     1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:101:40:
  101 |    real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg
      |                                        1
Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:100:32:
  100 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                                1
Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:96:21:
   96 |    integer :: i, j, k, nnj
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:96:26:
   96 |    integer :: i, j, k, nnj
      |                          1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:25:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                         1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:30:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                              1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:20:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
[183/541] true
[184/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_input.F90.o -c ../src/solv/input.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
../src/solv/input.F90:87:0:
   87 | function pgiWrapper(solvent, alpb, kernel, state, temperature, nAng, &
      | 
Warning: ‘pgiwrapper’ defined but not used [-Wunused-function]
[185/541] true
[186/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_anharmlib.f90.o -c ../src/anharmlib.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/anharmlib.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/anharmlib.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/anharmlib.f90:34:27:
   34 |    integer i,j,k,kk,mem,it1,it2,icall
      |                           1
Warning: Unused variable ‘it1’ declared at (1) [-Wunused-variable]
../src/anharmlib.f90: In function ‘__xtb_anharmlib_MOD_curveanal’:
../src/anharmlib.f90:82: warning: ‘mem’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   82 |       ityp(k)=2+int(sign(1.0d0,yy2(list(k))))
      | 
[187/541] true
[188/541] true
[189/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_basic_geo.f90.o -c ../src/basic_geo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/basic_geo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/basic_geo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/basic_geo.f90:380:27:
  380 |       real(wp) vecnorm,rkjn,rljn,rnn,rvn
      |                           1
Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:380:32:
  380 |       real(wp) vecnorm,rkjn,rljn,rnn,rvn
      |                                1
Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:259:18:
  259 |       real(wp) rab,rbc,thab,thbc,valijk
      |                  1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:259:22:
  259 |       real(wp) rab,rbc,thab,thbc,valijk
      |                      1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:260:34:
  260 |       real(wp) vecnorm,nan,nbn,rcn,snanb,deter,test
      |                                  1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:102:41:
  102 |       real(wp) sinphi,cosphi,onenner,thab,thbc
      |                                         1
Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:102:46:
  102 |       real(wp) sinphi,cosphi,onenner,thab,thbc
      |                                              1
Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:107:51:
  107 |       real(wp) xyz(3,nat),phi,vecnorm,nenner,eps,vz
      |                                                   1
Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable]
[190/541] true
[191/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_ini2.f90.o -c ../src/gfnff/gfnff_ini2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_ini2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_ini2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_ini2.f90:1613:23:
 1613 |       integer i,j,no,nc
      |                       1
Warning: Unused variable ‘nc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1466:56:
 1466 |       integer i,ni,newi,j,newatom,tag,d,i1,ni1,iii,ii,jj,k,lin
      |                                                        1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1330:30:
 1330 | subroutine goedeckera(env,n,at,nb,pair,q,es,topo)
      |                              1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:1353:28:
 1353 |    real(wp) :: tsqrt2pi,bohr
      |                            1
Warning: Unused variable ‘bohr’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1346:30:
 1346 |    integer  :: m,i,j,k,l,ii,jj,kk
      |                              1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1346:22:
 1346 |    integer  :: m,i,j,k,l,ii,jj,kk
      |                      1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1346:33:
 1346 |    integer  :: m,i,j,k,l,ii,jj,kk
      |                                 1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1346:24:
 1346 |    integer  :: m,i,j,k,l,ii,jj,kk
      |                        1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1347:20:
 1347 |    integer  :: ij,lj
      |                    1
Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1330:33:
 1330 | subroutine goedeckera(env,n,at,nb,pair,q,es,topo)
      |                                 1
Warning: Unused dummy argument ‘nb’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:1351:20:
 1351 |    real(wp) :: r2,r0
      |                    1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1350:27:
 1350 |    real(wp) :: gammij,sief1,sief2
      |                           1
Warning: Unused variable ‘sief1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1350:33:
 1350 |    real(wp) :: gammij,sief1,sief2
      |                                 1
Warning: Unused variable ‘sief2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1302:24:
 1302 |       integer n,ii,k,j,m,i,sc1
      |                        1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1151:47:
 1151 |       integer    a1,a2,a3,a4,a5,a6,a7,a8,a9,a10
      |                                               1
Warning: Unused variable ‘a10’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1151:37:
 1151 |       integer    a1,a2,a3,a4,a5,a6,a7,a8,a9,a10
      |                                     1
Warning: Unused variable ‘a7’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1151:40:
 1151 |       integer    a1,a2,a3,a4,a5,a6,a7,a8,a9,a10
      |                                        1
Warning: Unused variable ‘a8’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1151:43:
 1151 |       integer    a1,a2,a3,a4,a5,a6,a7,a8,a9,a10
      |                                           1
Warning: Unused variable ‘a9’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1144:25:
 1144 | subroutine getring36(n,at,nbin,a0_in,cout,irout)
      |                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:1156:21:
 1156 |       real*8  w(n),av,sd
      |                     1
Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1149:47:
 1149 |       integer    i1,i2,i3,i4,i5,i6,i7,i8,i9,i10
      |                                               1
Warning: Unused variable ‘i10’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1149:37:
 1149 |       integer    i1,i2,i3,i4,i5,i6,i7,i8,i9,i10
      |                                     1
Warning: Unused variable ‘i7’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1149:40:
 1149 |       integer    i1,i2,i3,i4,i5,i6,i7,i8,i9,i10
      |                                        1
Warning: Unused variable ‘i8’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1149:43:
 1149 |       integer    i1,i2,i3,i4,i5,i6,i7,i8,i9,i10
      |                                           1
Warning: Unused variable ‘i9’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1155:64:
 1155 |       integer adum1(0:n),adum2(0:n),kk,j,idum(maxr),same(maxr),k
      |                                                                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1150:47:
 1150 |       integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10
      |                                               1
Warning: Unused variable ‘n10’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1150:37:
 1150 |       integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10
      |                                     1
Warning: Unused variable ‘n7’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1150:40:
 1150 |       integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10
      |                                        1
Warning: Unused variable ‘n8’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1150:43:
 1150 |       integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10
      |                                           1
Warning: Unused variable ‘n9’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1156:24:
 1156 |       real*8  w(n),av,sd
      |                        1
Warning: Unused variable ‘sd’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1132:17:
 1132 |       integer ati,atj
      |                 1
Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1132:21:
 1132 |       integer ati,atj
      |                     1
Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:1126:39:
 1126 |       subroutine hbonds(i,j,ci,cj,param,topo)
      |                                       1
Warning: Unused dummy argument ‘param’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:1063:28:
 1063 | subroutine gfnff_hbset0(n,at,xyz,sqrab,topo,hbthr1,hbthr2)
      |                            1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:1074:25:
 1074 |       integer i,j,k,nh,ia,ix,lin,ij,inh,jnh
      |                         1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:816:27:
  816 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:816:65:
  816 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2)
      |                                                                 1
Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:828:25:
  828 |       integer i,j,k,nh,ia,ix,lin,ij,inh,jnh
      |                         1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:816:31:
  816 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2)
      |                               1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:768:26:
  768 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2)
      |                          1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:768:73:
  768 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2)
      |                                                                         1
Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:781:25:
  781 |       integer i,j,k,nh,ia,ix,lin,ij,inh,jnh
      |                         1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:768:30:
  768 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2)
      |                              1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:696:27:
  696 | subroutine gfnff_hbset(n,at,xyz,sqrab,topo,hbthr1,hbthr2)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:707:25:
  707 |       integer i,j,k,nh,ia,ix,lin,ij,inh,jnh
      |                         1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:439:32:
  439 |       subroutine ringsatom(n,i,c,s,rings)
      |                                1
Warning: Unused dummy argument ‘c’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_ini2.f90:441:21:
  441 |       integer n,i,k,l,c(10,20,n),s(20,n),rings,rings1
      |                     1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:441:53:
  441 |       integer n,i,k,l,c(10,20,n),s(20,n),rings,rings1
      |                                                     1
Warning: Unused variable ‘rings1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:57:20:
   57 |       real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86)
      |                    1
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:52:25:
   52 |       logical etacoord,da,strange_iat,metal_iat
      |                         1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:57:22:
   57 |       real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86)
      |                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:55:67:
   55 |       integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm
      |                                                                   1
Warning: Unused variable ‘hc_crit’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:55:17:
   55 |       integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:55:29:
   55 |       integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm
      |                             1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:52:47:
   52 |       logical etacoord,da,strange_iat,metal_iat
      |                                               1
Warning: Unused variable ‘metal_iat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:55:26:
   55 |       integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm
      |                          1
Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:55:79:
   55 |       integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm
      |                                                                               1
Warning: Unused variable ‘nnf’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:57:14:
   57 |       real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86)
      |              1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini2.f90:52:37:
   52 |       logical etacoord,da,strange_iat,metal_iat
      |                                     1
Warning: Unused variable ‘strange_iat’ declared at (1) [-Wunused-variable]
[192/541] true
[193/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_blowsy.f90.o -c ../src/blowsy.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/blowsy.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/blowsy.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[194/541] true
[195/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_bfgs.f90.o -c ../src/bfgs.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/bfgs.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/bfgs.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/bfgs.f90:131:37:
  131 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD
      |                                     1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:131:50:
  131 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD
      |                                                  1
Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:131:44:
  131 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD
      |                                            1
Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:105:28:
  105 | subroutine powell(nat3,gnorm,grad,grado,dx,hess)
      |                            1
Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument]
../src/bfgs.f90:131:31:
  131 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD
      |                               1
Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:48:37:
   48 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr
      |                                     1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:48:50:
   48 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr
      |                                                  1
Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:48:44:
   48 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr
      |                                            1
Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:48:19:
   48 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr
      |                   1
Warning: Unused variable ‘ddot’ declared at (1) [-Wunused-variable]
../src/bfgs.f90:20:26:
   20 | subroutine bfgs(nat3,gnorm,grad,grado,dx,hess)
      |                          1
Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument]
../src/bfgs.f90:48:31:
   48 |    real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr
      |                               1
Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable]
[196/541] true
[197/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_broyden.f90.o -c ../src/broyden.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/broyden.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/broyden.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/broyden.f90:42:14:
   42 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/broyden.f90:62:18:
   62 |    real(wp) tmp(n)
      |                  1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
[198/541] true
[199/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_data.f90.o -c ../src/xtb/data.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/data.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/data.f90:690:42:
  690 |    integer :: nElem, iZp, iSh, lAng, iKind
      |                                          1
Warning: Unused variable ‘ikind’ declared at (1) [-Wunused-variable]
../src/xtb/data.f90:619:35:
  619 | subroutine initCoulomb(self, nShell, chemicalHardness, shellHardness, &
      |                                   1
Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument]
../src/xtb/data.f90:368:36:
  368 | subroutine writeInfo(self, unit, num)
      |                                    1
Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument]
[200/541] true
[201/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_constrain_pot.f90.o -c ../src/constrain_pot.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/constrain_pot.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/constrain_pot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/constrain_pot.f90:284:54:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                      1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:42:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                          1
Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:47:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                               1
Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:52:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                    1
Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:265:38:
  265 | subroutine constrain_dihedral(fix,n,at,xyz,g,e)
      |                                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_pot.f90:282:13:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |             1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:283:13:
  283 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2
      |             1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:58:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                          1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:68:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                                    1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:50:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                                  1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:66:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                                                  1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:58:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                                          1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:50:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                  1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:32:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:279:21:
  279 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                     1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:283:52:
  283 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2
      |                                                    1
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:283:57:
  283 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2
      |                                                         1
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:13:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |             1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:16:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:19:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                   1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:61:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                             1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:62:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                              1
Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:69:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                                     1
Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:283:47:
  283 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2
      |                                               1
Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:279:28:
  279 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                            1
Warning: Unused variable ‘ffc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:279:24:
  279 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                        1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:279:40:
  279 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                                        1
Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:18:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                  1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:279:46:
  279 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                                              1
Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:23:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                       1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:279:17:
  279 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                 1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:38:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                      1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:44:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                            1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:53:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:25:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                         1
Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:31:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                               1
Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:37:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                     1
Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:29:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                             1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:16:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:35:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                   1
Warning: Unused variable ‘vab’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:22:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                      1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:28:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                            1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:280:42:
  280 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                          1
Warning: Unused variable ‘vcb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:282:66:
  282 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                                  1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:279:34:
  279 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                                  1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:284:57:
  284 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                         1
Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:54:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                      1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:42:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                          1
Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:47:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                               1
Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:52:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                    1
Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:208:35:
  208 | subroutine constrain_angle(fix,n,at,xyz,g,e)
      |                                   1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_pot.f90:224:68:
  224 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                                    1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:223:17:
  223 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                 1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:223:24:
  223 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                        1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:223:31:
  223 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                               1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:223:38:
  223 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                                      1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:221:21:
  221 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                     1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:13:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |             1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:16:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:19:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                   1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:62:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                              1
Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:69:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                                     1
Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:221:28:
  221 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                            1
Warning: Unused variable ‘ffc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:220:18:
  220 |    integer i,j,k,l,m,mm
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:221:24:
  221 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                        1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:221:40:
  221 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                                        1
Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:221:46:
  221 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                                              1
Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:221:17:
  221 |    real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3)
      |                 1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:25:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                         1
Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:31:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                               1
Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:37:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                     1
Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:224:66:
  224 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                                  1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:225:57:
  225 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                         1
Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:54:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                      1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:42:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                          1
Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:47:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                               1
Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:52:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                    1
Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:165:34:
  165 | subroutine constrain_dist(fix,n,at,xyz,g,e)
      |                                  1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_pot.f90:180:13:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |             1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:13:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |             1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:58:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                          1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:179:17:
  179 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                 1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:179:24:
  179 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                        1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:179:31:
  179 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                               1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:179:38:
  179 |    real(wp)dda(3),ddb(3),ddc(3),ddd(3)
      |                                      1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:50:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                                  1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:66:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                                                  1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:58:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                                          1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:50:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                  1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:44:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                                            1
Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:28:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                            1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:32:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:60:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                                                            1
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:13:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |             1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:16:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:19:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                   1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:61:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                             1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:62:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                              1
Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:69:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                                     1
Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:176:16:
  176 |    integer i,j,k,l,m,mm
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:176:18:
  176 |    integer i,j,k,l,m,mm
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:22:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                      1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:18:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                  1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:177:38:
  177 |    real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3)
      |                                      1
Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:18:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                  1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:177:44:
  177 |    real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3)
      |                                            1
Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:23:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                       1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:38:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                      1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:44:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                            1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:53:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:25:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                         1
Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:31:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                               1
Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:37:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                     1
Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:29:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                             1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:16:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:35:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                   1
Warning: Unused variable ‘vab’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:52:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                                                    1
Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:22:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                      1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:28:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                            1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:178:42:
  178 |    real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3)
      |                                          1
Warning: Unused variable ‘vcb’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:180:66:
  180 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                                  1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:177:32:
  177 |    real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3)
      |                                1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:34:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:181:40:
  181 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                                        1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:182:57:
  182 |    real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1
      |                                                         1
Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:88:29:
   88 | subroutine qpothess2(fix,n,at,xyz,h)
      |                             1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_pot.f90:99:40:
   99 |    real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3
      |                                        1
Warning: Unused variable ‘dy2’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:99:20:
   99 |    real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3
      |                    1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:99:17:
   99 |    real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3
      |                 1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:99:23:
   99 |    real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3
      |                       1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:99:26:
   99 |    real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3
      |                          1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/constrain_pot.f90:46:33:
   46 | subroutine constrain_pos(fix,n,at,xyz,g,e)
      |                                 1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_pot.f90:20:35:
   20 | subroutine constrain_zaxis(fix,n,at,xyz,g,e)
      |                                   1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
[202/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_wrbas.f90.o -c ../src/wrbas.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/wrbas.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/wrbas.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/wrbas.f90:18:56:
   18 | subroutine write_tm_basis(iunit,xtbData,nat,at,basis,wfn)
      |                                                        1
Warning: Unused dummy argument ‘wfn’ at (1) [-Wunused-dummy-argument]
[203/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_cqpath.f90.o -c ../src/cqpath.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/cqpath.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/cqpath.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/cqpath.f90:521:16:
  521 |     integer :: i,j,k,sr,so,x,nn
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:512:37:
  512 | subroutine cqpath_read_pathfile(fn,nl,nat,nstr,file_xyz,iat,energy)
      |                                     1
Warning: Unused dummy argument ‘nl’ at (1) [-Wunused-dummy-argument]
../src/cqpath.f90:521:26:
  521 |     integer :: i,j,k,sr,so,x,nn
      |                          1
Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:490:16:
  490 |     real(8) :: b,c,d
      |                1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:490:18:
  490 |     real(8) :: b,c,d
      |                  1
Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:490:20:
  490 |     real(8) :: b,c,d
      |                    1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:487:19:
  487 |     integer :: i,so,sr
      |                   1
Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:344:17:
  344 |     real(8) fs_x0,fs_x1,fss_x0,fss_x1
      |                 1
Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:344:23:
  344 |     real(8) fs_x0,fs_x1,fss_x0,fss_x1
      |                       1
Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:350:18:
  350 |     integer :: i,j,nf
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:345:14:
  345 |     real(8) x0,x1,x2,y0,y1,y2
      |              1
Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:345:17:
  345 |     real(8) x0,x1,x2,y0,y1,y2
      |                 1
Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:345:20:
  345 |     real(8) x0,x1,x2,y0,y1,y2
      |                    1
Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:345:23:
  345 |     real(8) x0,x1,x2,y0,y1,y2
      |                       1
Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:345:26:
  345 |     real(8) x0,x1,x2,y0,y1,y2
      |                          1
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:345:29:
  345 |     real(8) x0,x1,x2,y0,y1,y2
      |                             1
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:128:39:
  128 | subroutine cqpath_repos(n,m_repos,x,e,g,x2)
      |                                       1
Warning: Unused dummy argument ‘g’ at (1) [-Wunused-dummy-argument]
../src/cqpath.f90:45:28:
   45 |     real(8) :: strecke_X_inc, temp_strecke_X
      |                            1
Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable]
../src/cqpath.f90:45:44:
   45 |     real(8) :: strecke_X_inc, temp_strecke_X
      |                                            1
Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable]
../src/cqpath.f90: In function ‘__xtb_cqpath_MOD_cqpath_repos’:
../src/cqpath.f90:261: warning: ‘x_wert’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  261 |             x_wert = x_wert + x_schritt*e2(i)
      | 
[204/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_multipole.f90.o -c ../src/xtb/multipole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/multipole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/multipole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[205/541] true
[206/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_wrgbw.f90.o -c ../src/wrgbw.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/wrgbw.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/wrgbw.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/wrgbw.f90:19:21:
   19 |    use, intrinsic :: iso_fortran_env
      |                     1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/wrgbw.f90:82:55:
   82 |    integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount
      |                                                       1
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
[207/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_thirdorder.f90.o -c ../src/xtb/thirdorder.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/thirdorder.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/thirdorder.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[208/541] true
[209/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_gfn1.f90.o -c ../src/xtb/gfn1.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/gfn1.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/gfn1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/gfn1.f90:710:27:
  710 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
../src/xtb/gfn1.f90:636:17:
  636 |    integer :: iZp, iSh, jSh
      |                 1
Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable]
../src/xtb/gfn1.f90:635:33:
  635 |    integer :: mShell, nPrim, lAng
      |                                 1
Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable]
../src/xtb/gfn1.f90:635:27:
  635 |    integer :: mShell, nPrim, lAng
      |                           1
Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable]
../src/xtb/gfn1.f90:637:27:
  637 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
[210/541] true
[211/541] true
[212/541] true
[213/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_charge_model.f90.o -c ../src/charge_model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/charge_model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/charge_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[214/541] true
[215/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_coulomb.f90.o -c ../src/xtb/coulomb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/coulomb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[216/541] true
[217/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_define.f90.o -c ../src/define.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/define.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/define.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[218/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_drsp.f.o -c ../src/drsp.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/drsp.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/drsp.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/drsp.f:118:13:
  118 |          use iso_fortran_env, wp => real64
      |             1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/drsp.f:186:72:
  186 |    10 E(I-1) = E(I)
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/drsp.f:215:72:
  215 |    50    D(I) = D(I) - H
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 50 at (1)
../src/drsp.f:337:72:
  337 |    10 E2(I-1) = E2(I)
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/drsp.f:369:72:
  369 |    60    D(I) = D(I) - H
      |                                                                        1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/drsp.f:612:72:
  612 |             DO 80   K = 1, J
      |                                                                        1
Warning: Fortran 2018 deleted feature: Shared DO termination label 80 at (1)
../src/drsp.f:419:31:
  419 |       SUBROUTINE TRBAK3(NM,N,NV,A,M,Z)
      |                               1
Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument]
../src/drsp.f:503:40:
  503 |       SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA)
      |                                        1
Warning: Unused dummy argument ‘eps’ at (1) [-Wunused-dummy-argument]
../src/drsp.f:503:44:
  503 |       SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA)
      |                                            1
Warning: Unused dummy argument ‘eta’ at (1) [-Wunused-dummy-argument]
../src/drsp.f:503:27:
  503 |       SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA)
      |                           1
Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument]
../src/drsp.f:60:18:
   60 |       real(wp) esp,eta
      |                  1
Warning: Unused variable ‘esp’ declared at (1) [-Wunused-variable]
../src/drsp.f: In function ‘tqlrat_’:
../src/drsp.f:395: warning: ‘c’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  395 |          IF (ABS (E2(L)).LE.ABS (C/H))  GO TO 80
      | 
[219/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_david2.f90.o -c ../src/david2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/david2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/david2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/david2.f90:286:18:
  285 |    do i=1,n
      |           2       
  286 |       adiag(i)=HP(i*(i-1)/2)
      |                  1
Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2)
../src/david2.f90:250:35:
  250 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                   1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david2.f90:241:42:
  241 |    integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2
      |                                          1
Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable]
../src/david2.f90:239:24:
  239 |    integer iter,ineue(1),janf!,lun1,lun2
      |                        1
Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable]
../src/david2.f90:239:29:
  239 |    integer iter,ineue(1),janf!,lun1,lun2
      |                             1
Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable]
../src/david2.f90:240:49:
  240 |    integer iideks(maxiter),idum,j,jalt,ilauf,jneu
      |                                                 1
Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable]
../src/david2.f90:250:52:
  250 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                    1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
../src/david2.f90:52:35:
   52 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                   1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david2.f90:45:42:
   45 |    integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2
      |                                          1
Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable]
../src/david2.f90:43:24:
   43 |    integer iter,ineue(1),janf,lun1,lun2
      |                        1
Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable]
../src/david2.f90:43:29:
   43 |    integer iter,ineue(1),janf,lun1,lun2
      |                             1
Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable]
../src/david2.f90:44:49:
   44 |    integer iideks(maxiter),idum,j,jalt,ilauf,jneu
      |                                                 1
Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable]
../src/david2.f90:52:52:
   52 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                    1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
[220/541] true
[221/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_elem.f90.o -c ../src/elem.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/elem.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/elem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[222/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_enso_printout.f90.o -c ../src/enso_printout.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/enso_printout.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/enso_printout.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[223/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_eqrot.f90.o -c ../src/eqrot.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/eqrot.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/eqrot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[224/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_expire.f90.o -c ../src/expire.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/expire.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/expire.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/expire.f90:19:8:
   19 |    use iso_fortran_env
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/expire.f90:27:20:
   27 |    parameter (cdate=365*lower(1) + 30.5*lower(2) + lower(3))
      |                    1
Warning: Change of value in conversion from ‘REAL(8)’ to ‘INTEGER(4)’ at (1) [-Wconversion]
../src/expire.f90:30:9:
   30 |    adate=365*val(1) + 30.5*val(2) + val(3) ! actual date
      |         1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/expire.f90:23:15:
   23 |    integer :: i,upper(3),lower(3),val(8),edate,cdate,adate
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
[225/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_foden.f90.o -c ../src/foden.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/foden.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/foden.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[226/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_fixparam.f90.o -c ../src/fixparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/fixparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/fixparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/fixparam.f90:84:23:
   84 |    integer  :: i,ii,j,k,l,m,mm
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/fixparam.f90:84:25:
   84 |    integer  :: i,ii,j,k,l,m,mm
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/fixparam.f90:84:30:
   84 |    integer  :: i,ii,j,k,l,m,mm
      |                              1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
[227/541] true
[228/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_david.f.o -c ../src/david.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/david.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/david.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/david.f:653:17:
  653 |       integer i,m,mp1
      |                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/david.f:653:21:
  653 |       integer i,m,mp1
      |                     1
Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable]
../src/david.f:328:17:
  328 |       integer i,m,mp1
      |                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/david.f:328:21:
  328 |       integer i,m,mp1
      |                     1
Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable]
../src/david.f:60:36:
   60 |       real*8, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                    1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david.f:60:53:
   60 |       real*8, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                     1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
../src/david.f:385:36:
  385 |       real*4, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                    1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david.f:385:53:
  385 |       real*4, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                     1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
[229/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_fragment.f90.o -c ../src/fragment.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/fragment.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/fragment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/fragment.f90:75:39:
   75 |    integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n)
      |                                       1
Warning: Unused variable ‘iring’ declared at (1) [-Wunused-variable]
../src/fragment.f90:75:24:
   75 |    integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n)
      |                        1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[230/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfn0param.f90.o -c ../src/gfn0param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfn0param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfn0param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[231/541] true
[232/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_getsymnum.f90.o -c ../src/getsymnum.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/getsymnum.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/getsymnum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[233/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_ifind.f90.o -c ../src/ifind.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/ifind.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/ifind.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ifind.f90: In function ‘ifind_’:
../src/ifind.f90:33: warning: ‘mem’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   33 | end function ifind
      | 
../src/ifind.f90:22:16: note: ‘mem’ was declared here
   22 |    integer i,mem
      |                ^
[234/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfn_prparam.f90.o -c ../src/gfn_prparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfn_prparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfn_prparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfn_prparam.f90:85:8:
   85 |    use iso_fortran_env, kdp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/gfn_prparam.f90:143:8:
  143 |    use iso_fortran_env, kdp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/gfn_prparam.f90:18:38:
   18 | subroutine gfn1_prparam(iunit,n,at,par)
      |                                      1
Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument]
../src/gfn_prparam.f90:84:38:
   84 | subroutine gfn2_prparam(iunit,n,at,par)
      |                                      1
Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument]
../src/gfn_prparam.f90:142:38:
  142 | subroutine gfn0_prparam(iunit,n,at,par)
      |                                      1
Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument]
[235/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_header.f90.o -c ../src/header.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/header.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/header.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[236/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lindh.f90.o -c ../src/lindh.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lindh.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lindh.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/lindh.f90:21:12:
   21 |    integer k, l
      |            1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/lindh.f90:21:15:
   21 |    integer k, l
      |               1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:51:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                                   1
Warning: Unused variable ‘eij’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:46:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                                              1
Warning: Unused variable ‘eijk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:67:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                                                   1
Warning: Unused variable ‘ejk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:28:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                            1
Warning: Unused variable ‘ekl’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:43:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                           1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:37:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                                     1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:59:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                                           1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:20:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                    1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
[237/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lin.f90.o -c ../src/lin.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lin.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lin.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[238/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_lebedev.f90.o -c ../src/solv/lebedev.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/lebedev.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/lebedev.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/lebedev.f90:431:18:
  431 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:410:18:
  410 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:390:18:
  390 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:373:18:
  373 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:358:18:
  358 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:344:16:
  344 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:344:18:
  344 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:332:16:
  332 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:332:18:
  332 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:322:16:
  322 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:322:18:
  322 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
[239/541] true
[240/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lin_mod.f90.o -c ../src/lin_mod.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lin_mod.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lin_mod.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[241/541] true
[242/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_halogen.f90.o -c ../src/xtb/halogen.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/halogen.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/halogen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/halogen.f90:47:20:
   47 |    real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm
      |                    1
Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable]
../src/xtb/halogen.f90:47:17:
   47 |    real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm
      |                 1
Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable]
../src/xtb/halogen.f90:44:15:
   44 |    integer :: m,k,AA,B,X,ati,atj
      |               1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/xtb/halogen.f90:33:26:
   33 | subroutine xbpot(halData,n,at,xyz,xblist,nxb,a,exb,g)
      |                          1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/xtb/halogen.f90:47:25:
   47 |    real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm
      |                         1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/xtb/halogen.f90:45:34:
   45 |    real(wp) :: cc,r0ax,t13,t14,t16
      |                                  1
Warning: Unused variable ‘t16’ declared at (1) [-Wunused-variable]
[243/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_intpack.f90.o -c ../src/intpack.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/intpack.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/intpack.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/intpack.f90:1416:28:
 1416 |       if(2*itoth-itot) 1,2,1
      |                            1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:1484:44:
 1484 |           if(dabs(d(1))-0.0000001d0)10,10,11
      |                                            1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:1485:29:
 1485 |    10     if(ilru-1) 12,12, 3
      |                             1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:1492:45:
 1492 |            if(dabs(d(2))-0.0000001d0)20,20,21
      |                                             1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:1493:29:
 1493 |    20      if(jmsv-1) 22,22,2
      |                             1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:1500:46:
 1500 |             if(dabs(d(3))-0.0000001d0)30,30,31
      |                                              1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:1501:30:
 1501 |    30       if(kntw-1) 32,32,1
      |                              1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:1505:37:
 1505 |             if(2*uvwth-uvwt) 33,34,33
      |                                     1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/intpack.f90:992:15:
  991 |    do i=1,3
      |           2    
  992 |       dd(i)=-d(i)
      |               1
Warning: Array reference at (1) out of bounds (3 > 1) in loop beginning at (2)
../src/intpack.f90:993:18:
  991 |    do i=1,3
      |           2       
  992 |       dd(i)=-d(i)
  993 |       ddsq=ddsq+d(i)**2
      |                  1
Warning: Array reference at (1) out of bounds (3 > 1) in loop beginning at (2)
../src/intpack.f90:1440:29:
 1440 |       integer u,v,w,uvwt,rstt,uvwth
      |                             1
Warning: Unused variable ‘rstt’ declared at (1) [-Wunused-variable]
../src/intpack.f90:1005:34:
 1005 | pure subroutine opad1(l,m,n,ga,v,d)
      |                                  1
Warning: Unused dummy argument ‘d’ at (1) [-Wunused-dummy-argument]
../src/intpack.f90:38:24:
   38 |    real(wp) :: e(3),d(3),olap3,efact,val
      |                        1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/intpack.f90:38:36:
   38 |    real(wp) :: e(3),d(3),olap3,efact,val
      |                                    1
Warning: Unused variable ‘efact’ declared at (1) [-Wunused-variable]
[244/541] true
[245/541] true
[246/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_dipole.f90.o -c ../src/dipole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/dipole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/dipole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/dipole.f90:94:27:
   94 | subroutine calc_dipole(n,at,xyz,z,nao,P,dpint,dip,d)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/dipole.f90:38:65:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                                                 1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/dipole.f90:39:27:
   39 |    real(wp) :: point(3),gm2,ttt(3),tt1,tt2,tt3,intcut
      |                           1
Warning: Unused variable ‘gm2’ declared at (1) [-Wunused-variable]
../src/dipole.f90:34:22:
   34 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:36:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                    1
Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:39:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                       1
Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:31:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                               1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/dipole.f90:38:56:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                                        1
Warning: Unused variable ‘lmnfak’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:33:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:42:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                          1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:45:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                             1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/dipole.f90:38:41:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                         1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/dipole.f90:38:45:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                             1
Warning: Unused variable ‘sss’ declared at (1) [-Wunused-variable]
[247/541] true
[248/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_dtrafo.f90.o -c ../src/dtrafo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/dtrafo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/dtrafo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/dtrafo.f90:248:24:
  248 |   integer i,j,k,ii,jj,kk,iii,jjj,li,lj,mm,nn,m,n
      |                        1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/dtrafo.f90:34:24:
   34 |   integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n
      |                        1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/dtrafo.f90:34:36:
   34 |   integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n
      |                                    1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
[249/541] true
[250/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_locmode.f90.o -c ../src/locmode.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/locmode.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/locmode.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/locmode.f90:22:26:
   22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group)
      |                          1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/locmode.f90:32:49:
   32 |    real(wp),allocatable:: d(:,:),u(:,:),bmat(:,:),rr(:), fl2(:)
      |                                                 1
Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable]
../src/locmode.f90:29:29:
   29 |    integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36
      |                             1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/locmode.f90:29:42:
   29 |    integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36
      |                                          1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/locmode.f90:29:57:
   29 |    integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36
      |                                                         1
Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable]
../src/locmode.f90:30:41:
   30 |    real(wp) dum1,dum2,dd,vtyp(3),tors(n3)
      |                                         1
Warning: Unused variable ‘tors’ declared at (1) [-Wunused-variable]
../src/locmode.f90:30:32:
   30 |    real(wp) dum1,dum2,dd,vtyp(3),tors(n3)
      |                                1
Warning: Unused variable ‘vtyp’ declared at (1) [-Wunused-variable]
../src/locmode.f90:22:30:
   22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group)
      |                              1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/locmode.f90: In function ‘locmode_’:
../src/locmode.f90:29:50: warning: ‘highest’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   29 |    integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36
      |                                                  ^
[251/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lopt.f90.o -c ../src/lopt.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lopt.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lopt.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/lopt.f90:233:9:
  233 |       200 continue
      |         1
Warning: Label 200 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:223:12:
  223 |          110         ij=ij+1
      |            1
Warning: Label 110 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:213:20:
  213 |                   90                           jl=jl+l
      |                    1
Warning: Label 90 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:200:20:
  200 |                   70                          jl=jl+l
      |                    1
Warning: Label 70 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:159:17:
  159 |                40              continue
      |                 1
Warning: Label 40 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:137:17:
  137 |                30                  b=b+aqu*aux1**2-aux2**2
      |                 1
Warning: Label 30 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:100:8:
  100 |       22  continue
      |        1
Warning: Label 22 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:98:11:
   98 |          21          opn=opn+op(i,k)**2
      |           1
Warning: Label 21 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:83:11:
   83 |          20          d(i,i)=a1
      |           1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:81:14:
   81 |             10              d(j,i)=a0-accr*i+accr*i*j
      |              1
Warning: Label 10 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:37:18:
   37 |    integer :: auxi
      |                  1
Warning: Unused variable ‘auxi’ declared at (1) [-Wunused-variable]
[252/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_intgrad.f90.o -c ../src/intgrad.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/intgrad.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/intgrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/intgrad.f90:1048:52:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                    1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1053:19:
 1053 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:14:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:17:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:20:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:43:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1052:27:
 1052 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                           1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1052:30:
 1052 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                              1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:14:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:38:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:41:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:35:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:44:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:47:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                               1
Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:18:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:29:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:20:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:50:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:53:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                                     1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:32:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1012:44:
 1012 | subroutine sdqint(nShell,angShell,nat,at,nbf,nao,xyz,intcut,caoshell,saoshell, &
      |                                            1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/intgrad.f90:1053:27:
 1053 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:18:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:21:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:34:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:30:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:25:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:15:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:36:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:42:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:27:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:30:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:33:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:36:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:41:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                         1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:26:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:31:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:24:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:962:17:
  962 |    real(wp) :: ab,est,saw(10),sawg(3,10)
      |                 1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:961:42:
  961 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:891:42:
  891 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:809:20:
  809 |    real(wp)  :: d(3),dd(0:8,3),gg(0:8,3),va(3),val(3),gra(3),t
      |                    1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:809:46:
  809 |    real(wp)  :: d(3),dd(0:8,3),gg(0:8,3),va(3),val(3),gra(3),t
      |                                              1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:381:15:
  381 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:351:15:
  351 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:244:20:
  244 |    integer ii,jj,m,n
      |                    1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
[253/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_makel.f90.o -c ../src/makel.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/makel.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/makel.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[254/541] true
[255/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_matinv.f90.o -c ../src/matinv.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/matinv.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/matinv.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/matinv.f90:47:21:
   47 |             a(i,j) = temp
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/matinv.f90:55:21:
   55 |             a(i,j) = temp
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/matinv.f90:63:32:
   63 |          if ( i.ne.k ) a(k,i) = a(k,i)/(-biga)
      |                                1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/matinv.f90:73:32:
   73 |          if ( j.ne.k ) a(j,k) = a(j,k)/biga
      |                                1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/matinv.f90:77:15:
   77 |       a(k,k) = 1.0/biga
      |               1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/matinv.f90:90:21:
   90 |             a(i,j) = temp
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/matinv.f90:98:21:
   98 |             a(i,j) = temp
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
[256/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_ls_rmsd.f90.o -c ../src/ls_rmsd.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/ls_rmsd.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/ls_rmsd.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ls_rmsd.f90:57:35:
   57 |   real(dp), dimension(4,4) :: S, dS
      |                                   1
Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:55:40:
   55 |   real(dp) :: x_norm, y_norm, lambda, y1, y2, y3
      |                                        1
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:55:44:
   55 |   real(dp) :: x_norm, y_norm, lambda, y1, y2, y3
      |                                            1
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:55:48:
   55 |   real(dp) :: x_norm, y_norm, lambda, y1, y2, y3
      |                                                1
Warning: Unused variable ‘y3’ declared at (1) [-Wunused-variable]
[257/541] true
[258/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_gbsa.f90.o -c ../src/solv/gbsa.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/gbsa.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/gbsa.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/gbsa.f90:1150:18:
 1150 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:17:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                 1
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1112:26:
 1112 |    real(wp) :: gg,expa,aii,egb
      |                          1
Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:45:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                             1
Warning: Unused variable ‘ap’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:33:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:48:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                                1
Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:33:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:20:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                    1
Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:30:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                              1
Warning: Unused variable ‘dfgb’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:36:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                    1
Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:42:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                          1
Warning: Unused variable ‘dfgb3’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1115:20:
 1115 |    real(wp) :: dr(3),r
      |                    1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1112:22:
 1112 |    real(wp) :: gg,expa,aii,egb
      |                      1
Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:25:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                         1
Warning: Unused variable ‘expd’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:24:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                        1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:29:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                             1
Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1112:17:
 1112 |    real(wp) :: gg,expa,aii,egb
      |                 1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1114:21:
 1114 |    real(wp) :: grddbi,grddbj
      |                     1
Warning: Unused variable ‘grddbi’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1114:28:
 1114 |    real(wp) :: grddbi,grddbj
      |                            1
Warning: Unused variable ‘grddbj’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:15:
 1105 |    integer :: i,j,k,nnj
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:17:
 1105 |    integer :: i,j,k,nnj
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:19:
 1105 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1106:16:
 1106 |    integer :: kk
      |                1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:23:
 1105 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:52:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                                    1
Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:17:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                 1
Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1115:22:
 1115 |    real(wp) :: dr(3),r
      |                      1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:24:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:28:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:20:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:20:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                    1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1047:40:
 1047 | pure subroutine addGradientHBond(nat, at, q, hbw, dhbdw, dsdrt, ghb, gradient)
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:1026:26:
 1026 |    real(wp) :: hbed, dhbed
      |                          1
Warning: Unused variable ‘dhbed’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:24:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                        1
Warning: Unused variable ‘dsfw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1026:19:
 1026 |    real(wp) :: hbed, dhbed
      |                   1
Warning: Unused variable ‘hbed’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1025:17:
 1025 |    integer  :: iz, nhb
      |                 1
Warning: Unused variable ‘iz’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1029:16:
 1029 |    integer  :: j
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1025:22:
 1025 |    integer  :: iz, nhb
      |                      1
Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1027:34:
 1027 |    real(wp) :: smaxd, sasad, sasaw
      |                                  1
Warning: Unused variable ‘sasaw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:18:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                  1
Warning: Unused variable ‘sfw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:36:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                                    1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:32:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                                1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:28:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                            1
Warning: Unused variable ‘w3’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1030:23:
 1030 |    real(wp) :: wbh, wah
      |                       1
Warning: Unused variable ‘wah’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1030:18:
 1030 |    real(wp) :: wbh, wah
      |                  1
Warning: Unused variable ‘wbh’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:948:18:
  948 |    real(wp) rcutn2, lrcut2, srcut2
      |                  1
Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:851:18:
  851 |    real(wp) rcutn2, lrcut2, srcut2
      |                  1
Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:603:32:
  603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient)
      |                                1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:603:37:
  603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient)
      |                                     1
Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:603:52:
  603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient)
      |                                                    1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:555:35:
  555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift)
      |                                   1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:555:45:
  555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift)
      |                                             1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:528:30:
  528 | subroutine getEnergy(self, env, qat, qsh, energy)
      |                              1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:528:40:
  528 | subroutine getEnergy(self, env, qat, qsh, energy)
      |                                        1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:498:29:
  498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift)
      |                             1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:498:39:
  498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift)
      |                                       1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:498:64:
  498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift)
      |                                                                1
Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:448:34:
  448 | subroutine addBornMatrix(self, env, num, xyz, bornMat)
      |                                  1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:448:39:
  448 | subroutine addBornMatrix(self, env, num, xyz, bornMat)
      |                                       1
Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:448:44:
  448 | subroutine addBornMatrix(self, env, num, xyz, bornMat)
      |                                            1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:220:29:
  220 | subroutine initBorn(self, env, num, vdwRad, dielectricConst, freeEnergyShift, &
      |                             1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
[259/541] true
[260/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_neighbor.f90.o -c ../src/neighbor.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/neighbor.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/neighbor.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/neighbor.f90:178:45:
  178 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                                             1
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:178:27:
  178 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                           1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:176:27:
  176 |    integer  iat,i,j,k,ni,ii,jj,kk,ll
      |                           1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:176:30:
  176 |    integer  iat,i,j,k,ni,ii,jj,kk,ll
      |                              1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:176:33:
  176 |    integer  iat,i,j,k,ni,ii,jj,kk,ll
      |                                 1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:176:36:
  176 |    integer  iat,i,j,k,ni,ii,jj,kk,ll
      |                                    1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:176:24:
  176 |    integer  iat,i,j,k,ni,ii,jj,kk,ll
      |                        1
Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:178:33:
  178 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                                 1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:178:30:
  178 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1
      |                              1
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:241:36:
  241 |    real(wp) rad(94),r,rr,rco,r2,f,a1
      |                                    1
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:240:27:
  240 |    integer  iat,i,j,k,ni,ii,jj,kk,ll,lin
      |                           1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:240:30:
  240 |    integer  iat,i,j,k,ni,ii,jj,kk,ll,lin
      |                              1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:240:33:
  240 |    integer  iat,i,j,k,ni,ii,jj,kk,ll,lin
      |                                 1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:240:36:
  240 |    integer  iat,i,j,k,ni,ii,jj,kk,ll,lin
      |                                    1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:240:24:
  240 |    integer  iat,i,j,k,ni,ii,jj,kk,ll,lin
      |                        1
Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable]
../src/neighbor.f90:241:24:
  241 |    real(wp) rad(94),r,rr,rco,r2,f,a1
      |                        1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
[261/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_aespot.f90.o -c ../src/aespot.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/aespot.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/aespot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/aespot.f90:1092:27:
 1092 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1096:61:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1096:35:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:16:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1092:18:
 1092 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1093:14:
 1093 |    real(wp) f1,f2,tmp(6,6),r(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1093:17:
 1093 |    real(wp) f1,f2,tmp(6,6),r(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:12:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:56:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                        1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:14:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:38:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:41:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:35:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:44:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:47:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                               1
Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:18:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:60:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                            1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:29:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:20:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:50:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                  1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:53:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                     1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:32:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1065:45:
 1065 | subroutine dsint(nShell,hData,thr,nat,nao,nbf,at,xyz,sqrab,caoshell,saoshell,nprim,primcount, &
      |                                             1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:1094:47:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:57:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1096:48:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:21:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                     1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:18:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:21:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:37:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:44:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1094:25:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1094:34:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1094:43:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:30:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:57:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:53:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:48:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:15:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1065:58:
 1065 | subroutine dsint(nShell,hData,thr,nat,nao,nbf,at,xyz,sqrab,caoshell,saoshell,nprim,primcount, &
      |                                                          1
Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:1096:22:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:31:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:37:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:43:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:27:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:30:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:33:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:36:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1092:16:
 1092 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:16:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:21:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:26:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:24:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/aespot.f90:949:18:
  949 |    real(wp) rco,f1,f2
      |                  1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:949:21:
  949 |    real(wp) rco,f1,f2
      |                     1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:926:14:
  926 |    integer i,j,k
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:926:16:
  926 |    integer i,j,k
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:24:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                        1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:27:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                           1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:32:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:37:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:901:14:
  901 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:838:29:
  838 | subroutine mmomgabzero(nat,at,xyz,kdmp3,kdmp5,radcn,gab3,gab5)
      |                             1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:847:22:
  847 |    integer i,j,k,l,lin
      |                      1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:18:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:20:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:30:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                              1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:33:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                                 1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:689:28:
  689 | subroutine aniso_grad(nat,at,xyz,q,dipm,qp,kdmp3,kdmp5, &
      |                            1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:700:25:
  700 |    real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi
      |                         1
Warning: Unused variable ‘e01’ declared at (1) [-Wunused-variable]
../src/aespot.f90:700:29:
  700 |    real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi
      |                             1
Warning: Unused variable ‘e02’ declared at (1) [-Wunused-variable]
../src/aespot.f90:700:33:
  700 |    real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi
      |                                 1
Warning: Unused variable ‘e11’ declared at (1) [-Wunused-variable]
../src/aespot.f90:704:23:
  704 |    integer i,j,k,l,m,ki,kj,kl,mm
      |                       1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/aespot.f90:704:20:
  704 |    integer i,j,k,l,m,ki,kj,kl,mm
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:704:32:
  704 |    integer i,j,k,l,m,ki,kj,kl,mm
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/aespot.f90:702:45:
  702 |    real(wp) dgab3,dgab5,damp1,damp2,ddamp,qs2
      |                                             1
Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:38:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                      1
Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:44:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                            1
Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:16:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:36:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                                    1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:27:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                           1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:30:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                              1
Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable]
../src/aespot.f90:516:51:
  516 |    real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a
      |                                                   1
Warning: Unused variable ‘t1a’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:20:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                    1
Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:24:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                        1
Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:516:59:
  516 |    real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a
      |                                                           1
Warning: Unused variable ‘t3a’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:28:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                            1
Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:516:63:
  516 |    real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a
      |                                                               1
Warning: Unused variable ‘t4a’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:32:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                1
Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:38:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                      1
Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:44:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                            1
Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:16:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:36:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                                    1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:27:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                           1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:30:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                              1
Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:20:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                    1
Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:24:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                        1
Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:28:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                            1
Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:32:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                1
Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:334:33:
  334 |    integer i,j,k,l,ii,jj,ij,kl,kj
      |                                 1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:334:30:
  334 |    integer i,j,k,l,ii,jj,ij,kl,kj
      |                              1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/aespot.f90:334:18:
  334 |    integer i,j,k,l,ii,jj,ij,kl,kj
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:257:23:
  257 |    integer i,j,k,l,m,ki,kj,kl
      |                       1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/aespot.f90:257:20:
  257 |    integer i,j,k,l,m,ki,kj,kl
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:250:44:
  250 |    real(wp) edd,e01,e02,e11,r2,tt,tt3,q1,qs2
      |                                            1
Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:147:37:
  147 |    integer i,j,k,l,ii,jj,ij,kl,kj,lin
      |                                     1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/aespot.f90:113:16:
  113 |    real(wp) aesi
      |                1
Warning: Unused variable ‘aesi’ declared at (1) [-Wunused-variable]
../src/aespot.f90:109:29:
  109 | subroutine unscalecamm(nat,at,dipm,qp)
      |                             1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:109:34:
  109 | subroutine unscalecamm(nat,at,dipm,qp)
      |                                  1
Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:114:16:
  114 |    integer i,iat
      |                1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/aespot.f90:92:27:
   92 | subroutine scalecamm(nat,at,dipm,qp)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:92:32:
   92 | subroutine scalecamm(nat,at,dipm,qp)
      |                                1
Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:96:16:
   96 |    integer i,iat
      |                1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:43:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:23:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                       1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:26:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                          1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:18:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:29:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:20:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:32:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:18:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:21:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:15:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:27:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:30:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:33:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:36:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:43:26:
   43 |    real(wp) tmp1,tmp2,tmp3,tmp4
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:43:31:
   43 |    real(wp) tmp1,tmp2,tmp3,tmp4
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:24:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
[262/541] true
[263/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_onetri.f90.o -c ../src/onetri.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/onetri.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/onetri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[264/541] true
[265/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_hlex.f90.o -c ../src/hlex.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/hlex.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/hlex.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/hlex.f90:20:22:
   20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis)
      |                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/hlex.f90:20:45:
   20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis)
      |                                             1
Warning: Unused dummy argument ‘focc’ at (1) [-Wunused-dummy-argument]
../src/hlex.f90:37:30:
   37 |    integer  :: mo,n,i,j,k,idum,ii
      |                              1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/hlex.f90:37:25:
   37 |    integer  :: mo,n,i,j,k,idum,ii
      |                         1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/hlex.f90:20:47:
   20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis)
      |                                               1
Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument]
[266/541] true
[267/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_qmdff.f90.o -c ../src/qmdff.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/qmdff.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/qmdff.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qmdff.f90:1037:12:
 1037 |    &     rab,rbc,thab,thbc,valijk, &
      |            1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:1037:16:
 1037 |    &     rab,rbc,thab,thbc,valijk, &
      |                1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:1038:28:
 1038 |    &     vecnorm,nan,nbn,rcn,snanb,deter,pi
      |                            1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:994:24:
  994 | subroutine setmorse(n,at,thr,echo)
      |                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/qmdff.f90:946:17:
  946 |    real(wp):: alp= 6.d0
      |                 1
Warning: Unused variable ‘alp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:947:18:
  947 |    real(wp):: alp3=6.d0
      |                  1
Warning: Unused variable ‘alp3’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:31:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                               1
Warning: Unused variable ‘apref’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:37:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                                     1
Warning: Unused variable ‘aprod’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:938:23:
  938 |    real(wp)cosabh,aterm,rdampl
      |                       1
Warning: Unused variable ‘aterm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:938:17:
  938 |    real(wp)cosabh,aterm,rdampl
      |                 1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:19:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                   1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:34:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                                  1
Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:41:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                                         1
Warning: Unused variable ‘dg2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:940:34:
  940 |    real(wp)drah(3),drbh(3),drab(3)
      |                                  1
Warning: Unused variable ‘drab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:940:18:
  940 |    real(wp)drah(3),drbh(3),drab(3)
      |                  1
Warning: Unused variable ‘drah’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:940:26:
  940 |    real(wp)drah(3),drbh(3),drab(3)
      |                          1
Warning: Unused variable ‘drbh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:943:15:
  943 |    real(wp)eabh
      |               1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:16:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                1
Warning: Unused variable ‘ga’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:22:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                      1
Warning: Unused variable ‘gb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:28:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                            1
Warning: Unused variable ‘gh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:13:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |             1
Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:945:21:
  945 |    real(wp):: longcut=120.d0
      |                     1
Warning: Unused variable ‘longcut’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:14:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |              1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:27:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                           1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:18:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                  1
Warning: Unused variable ‘rah’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:32:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                1
Warning: Unused variable ‘rah2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:42:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                          1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:25:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                         1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:22:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                      1
Warning: Unused variable ‘rbh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:37:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                     1
Warning: Unused variable ‘rbh2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:47:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                               1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:938:30:
  938 |    real(wp)cosabh,aterm,rdampl
      |                              1
Warning: Unused variable ‘rdampl’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:14:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |              1
Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:52:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                                    1
Warning: Unused variable ‘cb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:24:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                        1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:29:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                             1
Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:55:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                                       1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:22:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                      1
Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:52:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                    1
Warning: Unused variable ‘fa’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:55:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                       1
Warning: Unused variable ‘fb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:890:30:
  890 |    real(wp)xyz(3,n),energy,rab
      |                              1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:41:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                         1
Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:49:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                 1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:31:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:34:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:37:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:18:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                  1
Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:28:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                            1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:33:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                 1
Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:22:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                      1
Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:41:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                         1
Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:53:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                     1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:31:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:34:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:37:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:14:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |              1
Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:24:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                        1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:29:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                             1
Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:22:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                      1
Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:41:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                         1
Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:49:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                 1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:31:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:34:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:37:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:38:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                                      1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:34:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                                  1
Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:24:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                        1
Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:21:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                     1
Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:602:22:
  602 |    integer i1,i2,i,k,j
      |                      1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:29:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                             1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:523:39:
  523 |    real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0
      |                                       1
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:523:44:
  523 |    real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0
      |                                            1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:523:50:
  523 |    real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0
      |                                                  1
Warning: Unused variable ‘damp2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:56:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                                                        1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:66:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                                                  1
Warning: Unused variable ‘ban’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:49:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                                 1
Warning: Unused variable ‘ca’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:23:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                       1
Warning: Unused variable ‘cosna’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:49:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                 1
Warning: Unused variable ‘cosrph’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:57:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                         1
Warning: Unused variable ‘cosrph0’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:305:41:
  305 |    real(wp) :: c0,c1,c2,theta,sinth,costh,expo
      |                                         1
Warning: Unused variable ‘costh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:46:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                              1
Warning: Unused variable ‘damp2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:296:46:
  296 |    real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3)
      |                                              1
Warning: Unused variable ‘dedd’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:38:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                      1
Warning: Unused variable ‘dedphi’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:55:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                                       1
Warning: Unused variable ‘dedt’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:58:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                                          1
Warning: Unused variable ‘dedtheta’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:63:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                                               1
Warning: Unused variable ‘dedu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:21:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                     1
Warning: Unused variable ‘dei’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:28:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                            1
Warning: Unused variable ‘dej’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:35:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                   1
Warning: Unused variable ‘dek’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:65:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                                                 1
Warning: Unused variable ‘dphi’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:25:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                         1
Warning: Unused variable ‘dphidri’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:36:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                    1
Warning: Unused variable ‘dphidrj’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:47:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                               1
Warning: Unused variable ‘dphidrk’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:58:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                                          1
Warning: Unused variable ‘dphidrl’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:39:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                                       1
Warning: Unused variable ‘eb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:63:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                               1
Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:60:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                            1
Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:30:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                              1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:300:17:
  300 |    integer  :: ib,id
      |                 1
Warning: Unused variable ‘ib’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:300:20:
  300 |    integer  :: ib,id
      |                    1
Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:47:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                               1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:60:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                                            1
Warning: Unused variable ‘it2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:41:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                         1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:31:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                               1
Warning: Unused variable ‘kijkl’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:50:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                                  1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:38:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                      1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:42:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                                          1
Warning: Unused variable ‘or’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:57:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                                         1
Warning: Unused variable ‘phix’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:62:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                                              1
Warning: Unused variable ‘pi6’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:51:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                                   1
Warning: Unused variable ‘rac2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:57:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                                         1
Warning: Unused variable ‘racut’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:46:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                              1
Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:30:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                              1
Warning: Unused variable ‘rcb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:18:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                  1
Warning: Unused variable ‘rt2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:35:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                   1
Warning: Unused variable ‘rtru’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:26:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                          1
Warning: Unused variable ‘rtu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:22:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                      1
Warning: Unused variable ‘ru2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:43:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                           1
Warning: Unused variable ‘sa’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:32:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                1
Warning: Unused variable ‘sinna’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:305:35:
  305 |    real(wp) :: c0,c1,c2,theta,sinth,costh,expo
      |                                   1
Warning: Unused variable ‘sinth’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:63:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:21:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                     1
Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:26:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                          1
Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:37:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                     1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:294:45:
  294 |    real(wp) :: va(3),vb(3),vc(3),vd(3),vba(3),vcb(3),vdc(3),vab(3)
      |                                             1
Warning: Unused variable ‘vba’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:21:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                     1
Warning: Unused variable ‘vca’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:294:38:
  294 |    real(wp) :: va(3),vb(3),vc(3),vd(3),vba(3),vcb(3),vdc(3),vab(3)
      |                                      1
Warning: Unused variable ‘vd’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:28:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                            1
Warning: Unused variable ‘vdb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:34:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                  1
Warning: Unused variable ‘vt’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:296:55:
  296 |    real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3)
      |                                                       1
Warning: Unused variable ‘vtmp1’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:296:64:
  296 |    real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3)
      |                                                                1
Warning: Unused variable ‘vtmp2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:47:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                               1
Warning: Unused variable ‘vtu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:40:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                        1
Warning: Unused variable ‘vu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:180:38:
  180 |    real(wp) :: qdum,r,xx(10),dum1,dum2
      |                                      1
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:179:34:
  179 |    integer  :: i,j,n,nn,nterm,idum,imass,ich
      |                                  1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:179:29:
  179 |    integer  :: i,j,n,nn,nterm,idum,imass,ich
      |                             1
Warning: Unused variable ‘nterm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:180:21:
  180 |    real(wp) :: qdum,r,xx(10),dum1,dum2
      |                     1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:69:16:
   69 |    real(wp) :: e
      |                1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:70:21:
   70 |    real(wp) :: g(3,n)
      |                     1
Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:59:26:
   59 | subroutine ff_ini(n,at,xyz,cn,s6)
      |                          1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/qmdff.f90: In function ‘__xtb_qmdff_MOD_ff_eg’:
../src/qmdff.f90:351: warning: ‘fac’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  351 |          g(ic,i)=g(ic,i)+fac*ra(ic)
      | 
[268/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_pbc.f90.o -c ../src/pbc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/pbc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/pbc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[269/541] true
[270/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_pbc_tools.f90.o -c ../src/pbc_tools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/pbc_tools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/pbc_tools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/pbc_tools.f90:407:15:
  407 |    integer :: i,j,k
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/pbc_tools.f90:407:17:
  407 |    integer :: i,j,k
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/pbc_tools.f90:407:19:
  407 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[271/541] true
[272/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_model.f90.o -c ../src/solv/model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/model.f90:179:19:
  179 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[273/541] true
[274/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_pqn.f90.o -c ../src/pqn.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/pqn.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/pqn.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/pqn.f90: In function ‘ncore_’:
../src/pqn.f90:60: warning: ‘__result_ncore’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   60 | end function ncore
      | 
../src/pqn.f90:37: note: ‘__result_ncore’ was declared here
   37 | pure elemental integer function ncore(at)
      | 
[275/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_printmold.f90.o -c ../src/printmold.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/printmold.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/printmold.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/printmold.f90:49:30:
   49 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                              1
Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable]
../src/printmold.f90:49:43:
   49 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                                           1
Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable]
../src/printmold.f90:158:13:
  158 |    real*8 dum
      |             1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/printmold.f90:157:30:
  157 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                              1
Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable]
../src/printmold.f90:157:43:
  157 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                                           1
Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable]
[276/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o -c ../src/gfnff/gfnff_eg.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_eg.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_eg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_eg.f90:2759:13:
 2759 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2760:13:
 2760 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2761:13:
 2761 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2762:13:
 2762 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2763:12:
 2763 |          rn=tlist(5,i)
      |            1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2498:13:
 2498 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2499:13:
 2499 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2500:13:
 2500 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2501:13:
 2501 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2502:13:
 2502 |          rn =tlist(5,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2601:13:
 2601 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2190:13:
 2190 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2191:13:
 2191 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2192:13:
 2192 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2193:13:
 2193 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2194:13:
 2194 |          rn =tlist(5,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2205:13:
 2205 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2206:13:
 2206 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2207:13:
 2207 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2208:13:
 2208 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2337:13:
 2337 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:1285:12:
 1285 |          A4=A
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:1286:12:
 1286 |          x4=x
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:683:68:
  683 |            write(*,'(10x,"No H-atom found in this bond ",i0,1x,i0)'), iat,jat
      |                                                                    1
Warning: Legacy Extension: Comma before i/o item list at (1)
../src/gfnff/gfnff_eg.f90:3160:38:
 3160 | pure elemental function create_erfCN(k,r,r0) result(count)
      |                                      1
Warning: Unused dummy argument ‘k’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:2880:43:
 2880 |       real*8 drax(3),drbx(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2883:18:
 2883 |       real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo
      |                  1
Warning: Unused variable ‘ex1_a’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2883:24:
 2883 |       real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo
      |                        1
Warning: Unused variable ‘ex2_a’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2887:16:
 2887 |       real*8 gqa,gqb,gqx
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2887:20:
 2887 |       real*8 gqa,gqb,gqx
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2887:24:
 2887 |       real*8 gqa,gqb,gqx
      |                        1
Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2890:15:
 2890 |       integer i,j
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2890:17:
 2890 |       integer i,j
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2885:15:
 2885 |       real*8 qa,qb,qx
      |               1
Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2879:44:
 2879 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                            1
Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2879:49:
 2879 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                                 1
Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2630:23:
 2630 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2649:18:
 2649 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2644:47:
 2644 |       real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3)
      |                                               1
Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2643:35:
 2643 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                   1
Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2643:58:
 2643 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                                          1
Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2642:43:
 2642 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2654:17:
 2654 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2653:70:
 2653 |       real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B))
      |                                                                      1
Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2650:36:
 2650 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2645:51:
 2645 |       real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B))
      |                                                   1
Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2658:16:
 2658 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2658:20:
 2658 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2658:24:
 2658 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2665:36:
 2665 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2655:31:
 2655 |       real*8 aterm,dterm,nbterm
      |                               1
Warning: Unused variable ‘nbterm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2661:35:
 2661 |       real*8 outl_nb(topo%nb(20,B)),outl_nb_tot
      |                                   1
Warning: Unused variable ‘outl_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2661:47:
 2661 |       real*8 outl_nb(topo%nb(20,B)),outl_nb_tot
      |                                               1
Warning: Unused variable ‘outl_nb_tot’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2640:44:
 2640 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:32:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                1
Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:53:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                     1
Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2652:45:
 2652 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2649:24:
 2649 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2638:51:
 2638 |       real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3
      |                                                   1
Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2640:49:
 2640 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:73:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                         1
Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:94:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                                              1
Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2651:37:
 2651 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2639:15:
 2639 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2639:18:
 2639 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2639:21:
 2639 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2369:23:
 2369 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2388:18:
 2388 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2383:47:
 2383 |       real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3)
      |                                               1
Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2382:35:
 2382 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                   1
Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2382:58:
 2382 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                                          1
Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2381:43:
 2381 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2393:17:
 2393 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2392:70:
 2392 |       real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B))
      |                                                                      1
Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2389:36:
 2389 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2384:51:
 2384 |       real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B))
      |                                                   1
Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:16:
 2397 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:20:
 2397 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:24:
 2397 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2403:36:
 2403 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2379:44:
 2379 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:32:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                1
Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:53:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                     1
Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2391:45:
 2391 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2388:24:
 2388 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2377:51:
 2377 |       real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3
      |                                                   1
Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2379:49:
 2379 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:73:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                         1
Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:94:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                                              1
Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2390:37:
 2390 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2378:15:
 2378 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2378:18:
 2378 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2378:21:
 2378 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2075:17:
 2075 |       integer C,D
      |                 1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2046:43:
 2046 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2058:17:
 2058 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:16:
 2062 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:20:
 2062 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:24:
 2062 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2044:44:
 2044 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2053:18:
 2053 |       real*8 ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2044:49:
 2044 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2043:15:
 2043 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2043:18:
 2043 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2043:21:
 2043 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1751:18:
 1751 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1747:43:
 1747 |       real*8 drah(3),drbh(3),drab(3),drm(3),dralp(3),drblp(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1756:17:
 1756 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1760:16:
 1760 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1760:20:
 1760 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1760:24:
 1760 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1745:44:
 1745 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1751:24:
 1751 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1745:49:
 1745 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1744:15:
 1744 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1744:18:
 1744 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1744:21:
 1744 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1517:18:
 1517 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1513:43:
 1513 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1522:17:
 1522 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1526:16:
 1526 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1526:20:
 1526 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1526:24:
 1526 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1511:44:
 1511 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1517:24:
 1517 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1511:49:
 1511 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1510:15:
 1510 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1510:18:
 1510 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1510:21:
 1510 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1347:43:
 1347 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1353:17:
 1353 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1357:16:
 1357 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1357:20:
 1357 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1357:24:
 1357 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1350:27:
 1350 |       real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh
      |                           1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1345:15:
 1345 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1345:18:
 1345 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1345:21:
 1345 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1228:36:
 1228 |       real(wp) :: gammij,tsqrt2pi,r2,tmp
      |                                    1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:16:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:44:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                            1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1119:28:
 1119 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1119:20:
 1119 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:27:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                           1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:27:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                           1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:35:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                   1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:53:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                                     1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:16:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1116:37:
 1116 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:19:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                   1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:21:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                     1
Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1118:19:
 1118 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1113:36:
 1113 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                    1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1114:18:
 1114 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1118:28:
 1118 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1117:45:
 1117 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:47:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                               1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:41:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                         1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1113:53:
 1113 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:19:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                   1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:27:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                           1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:33:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                 1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:39:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                       1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:32:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:38:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                      1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1056:59:
 1056 |       subroutine egtors_nci_mul(i,j,k,l,rn,phi0,tshift,n,at,xyz,e,g)
      |                                                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:1066:16:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:47:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                                               1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:23:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:38:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:53:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1074:28:
 1074 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:51:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                                   1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:30:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:45:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1074:20:
 1074 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:43:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                           1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:27:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                           1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:27:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                           1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:35:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                   1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:53:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                                     1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:16:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1071:37:
 1071 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:19:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                   1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:24:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                        1
Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:19:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:36:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                    1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:18:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:28:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1072:45:
 1072 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:47:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                               1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:41:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                         1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:53:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:22:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                      1
Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:31:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                               1
Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1071:22:
 1071 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:19:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                   1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:30:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                              1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:36:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                                    1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:42:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                                          1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:32:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:38:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                      1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:16:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:44:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                            1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:27:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                           1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:27:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                           1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:35:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                   1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:53:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                                     1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:16:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:983:37:
  983 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:19:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                   1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:21:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                     1
Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:980:36:
  980 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                    1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:981:18:
  981 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:985:28:
  985 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:47:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                               1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:41:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                         1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:980:53:
  980 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:19:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                   1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:27:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                           1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:33:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                 1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:39:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                       1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:32:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:38:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                      1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:919:48:
  919 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                                1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:28:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:56:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:20:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:48:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:41:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                         1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:34:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                  1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:27:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                           1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:20:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                    1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:919:45:
  919 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                             1
Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:43:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:37:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:919:41:
  919 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                         1
Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:19:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:49:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                                 1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:33:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:23:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:28:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:41:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:45:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:37:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:41:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:22:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:38:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:50:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:34:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:28:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:847:48:
  847 |       subroutine egbend_nci_mul(j,i,k,c0,fc,n,at,xyz,e,g)
      |                                                1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:860:48:
  860 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                                1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:23:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:38:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:53:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:28:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:56:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:30:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:45:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:20:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:48:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:41:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                         1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:34:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                  1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:27:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                           1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:20:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                    1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:860:45:
  860 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                             1
Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:43:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:37:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:860:41:
  860 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                         1
Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:19:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:49:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                                 1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:33:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:23:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:28:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:41:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:45:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:37:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:41:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:858:22:
  858 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                      1
Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:858:31:
  858 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                               1
Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:22:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:38:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:50:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:34:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:28:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:795:48:
  795 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                                1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:28:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:56:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:20:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:48:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:41:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                         1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:34:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                  1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:27:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                           1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:20:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                    1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:795:45:
  795 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                             1
Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:43:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:37:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:795:41:
  795 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                         1
Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:19:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:49:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                                 1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:33:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:23:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:28:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:41:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:45:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:37:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:41:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:22:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:38:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:50:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:34:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:28:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:738:24:
  738 |       real(wp) :: cn_thr
      |                        1
Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:743:23:
  743 |       integer  :: iA,jA,jH
      |                       1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:743:26:
  743 |       integer  :: iA,jA,jH
      |                          1
Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:741:21:
  741 |       integer  :: lin,linAH
      |                     1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:741:27:
  741 |       integer  :: lin,linAH
      |                           1
Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:599:51:
  599 |       subroutine egbond(i,iat,jat,rab,rij,drij,n,at,xyz,e,g,topo)
      |                                                   1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:615:15:
  615 |       integer j,k
      |               1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:98:49:
   98 |       real*8  repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28
      |                                                 1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:37:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                                     1
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:95:16:
   95 |       logical ex
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:93:17:
   93 |       integer hbA,hbB
      |                 1
Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:93:21:
   93 |       integer hbA,hbB
      |                     1
Warning: Unused variable ‘hbb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:94:17:
   94 |       integer lin
      |                 1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:61:50:
   61 |    subroutine gfnff_eg(env,pr,n,ichrg,at,xyz,makeq,g,etot,res_gff, &
      |                                                  1
Warning: Unused dummy argument ‘makeq’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:100:19:
  100 |       real*8  omega,rn,dr,g3tmp(3,3),g4tmp(3,4)
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:99:36:
   99 |       real*8  gammij,eesinf,etmp,phi,valijklff
      |                                    1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:24:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                        1
Warning: Unused variable ‘qq0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:97:44:
   97 |       real*8  dx,dy,dz,yy,t4,t5,t6,alpha,t20
      |                                            1
Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:54:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                                                      1
Warning: Unused variable ‘t22’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:98:56:
   98 |       real*8  repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28
      |                                                        1
Warning: Unused variable ‘t28’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:58:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                                                          1
Warning: Unused variable ‘t39’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:99:46:
   99 |       real*8  gammij,eesinf,etmp,phi,valijklff
      |                                              1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2364:0:
 2364 | subroutine abhgfnff_eg3_mul(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo)
      | 
Warning: ‘abhgfnff_eg3_mul’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:2625:0:
 2625 | subroutine abhgfnff_eg3_add(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo)
      | 
Warning: ‘abhgfnff_eg3_add’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3160:0:
 3160 | pure elemental function create_erfCN(k,r,r0) result(count)
      | 
Warning: ‘create_erfcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3183:0:
 3183 | pure elemental function create_expCN(k,r,r0) result(count)
      | 
Warning: ‘create_expcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3191:0:
 3191 | pure elemental function create_dexpCN(k,r,r0) result(count)
      | 
Warning: ‘create_dexpcn’ defined but not used [-Wunused-function]
[277/541] true
[278/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_molecule.f90.o -c ../src/type/molecule.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/molecule.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/molecule.f90:675:16:
  675 |    integer  :: i,iat
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:625:23:
  625 |    integer  :: iat,info
      |                       1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:623:61:
  623 |    real(wp) :: center(3),atmass,inertia(3,3),work(9),tmp(3,3)
      |                                                             1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:623:52:
  623 |    real(wp) :: center(3),atmass,inertia(3,3),work(9),tmp(3,3)
      |                                                    1
Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:218:27:
  218 |    integer :: nAt, nId, iAt, iId
      |                           1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:216:32:
  216 |    integer, allocatable :: id(:)
      |                                1
Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:218:32:
  218 |    integer :: nAt, nId, iAt, iId
      |                                1
Warning: Unused variable ‘iid’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:218:22:
  218 |    integer :: nAt, nId, iAt, iId
      |                      1
Warning: Unused variable ‘nid’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:217:54:
  217 |    character(len=symbolLength), allocatable :: sTmp(:)
      |                                                      1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/type/molecule.f90:583:0:
  583 | pure function molecular_mass(self) result(molmass)
      | 
Warning: ‘molecular_mass’ defined but not used [-Wunused-function]
../src/type/molecule.f90: In function ‘__xtb_type_molecule_MOD_mol_set_nuclear_charge’:
../src/type/molecule.f90:503: warning: ‘__result_ncore’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  503 |       self%z(i) = real(self%at(i),wp) - real(ncore(self%at(i)))
      | 
../src/type/molecule.f90:508: note: ‘__result_ncore’ was declared here
  508 | pure elemental integer function ncore(at)
      | 
[279/541] true
[280/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_utils.f90.o -c ../src/api/utils.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/utils.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/utils.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/api/utils.f90:57:72:
   57 |    lhs(1:length) = transfer(rhs(1:length), lhs(1:length)) // c_null_char
      |                                                                        1
Warning: CHARACTER expression will be truncated in assignment (1/2) at (1) [-Wcharacter-truncation]
[281/541] true
[282/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_pseudodiag.f90.o -c ../src/pseudodiag.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/pseudodiag.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/pseudodiag.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/pseudodiag.f90:91:37:
   91 |             alphaarr(i_occ,i_virt) = sqrt(0.5d0*(1.d0+d/e))
      |                                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/pseudodiag.f90:92:36:
   92 |             betaarr(i_occ,i_virt) = -sign(sqrt(1.d0-alphaarr(i_occ,i_virt)*alphaarr(i_occ,i_virt)),c)
      |                                    1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/pseudodiag.f90:50:14:
   50 |     real*8:: b
      |              1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:48:20:
   48 |     integer :: bound
      |                    1
Warning: Unused variable ‘bound’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:44:36:
   44 |     integer:: blocksize, batch, dest, nproc
      |                                    1
Warning: Unused variable ‘dest’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:57:46:
   57 |     integer, allocatable, save :: indizes(:,:)
      |                                              1
Warning: Unused variable ‘indizes’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:41:15:
   41 |     integer:: j
      |               1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:43:42:
   43 |     integer:: aux_occ,aux_virt, loop_count
      |                                          1
Warning: Unused variable ‘loop_count’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:42:15:
   42 |     integer:: m
      |               1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
[283/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_model_hessian.f90.o -c ../src/model_hessian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/model_hessian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/model_hessian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/model_hessian.f90:1484:8:
 1484 |    use iso_fortran_env, wp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/model_hessian.f90:1775:8:
 1775 |    use iso_fortran_env, wp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/model_hessian.f90:2217:4:
 2217 |  777  Do kAtom = 1, nAtoms
      |    1
Warning: Label 777 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2652:3:
 2652 | 444     Continue
      |   1
Warning: Label 444 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2504:3:
 2504 |  20    Continue
      |   1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2281:3:
 2281 |  10         Continue
      |   1
Warning: Label 10 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2284:2:
 2284 |  5       Continue
      |  1
Warning: Label 5 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:1819:17:
 1819 |    real(wp) :: es,expterm,erfterm
      |                 1
Warning: Unused variable ‘es’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1792:45:
 1792 |    real(wp),allocatable   :: hessian(:,:,:,:) ! molecular hessian of IES
      |                                             1
Warning: Unused variable ‘hessian’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1820:19:
 1820 |    real(wp) :: htmp,rxr(3,3)
      |                   1
Warning: Unused variable ‘htmp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1814:22:
 1814 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1818:21:
 1818 |    real(wp) :: lambda
      |                     1
Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1821:21:
 1821 |    real(wp) :: rcovij,rr
      |                     1
Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1821:24:
 1821 |    real(wp) :: rcovij,rr
      |                        1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1834:34:
 1834 |    real(wp),allocatable :: temp(:)
      |                                  1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1817:27:
 1817 |    real(wp) :: arg,arg2,tmp,dtmp
      |                           1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1590:21:
 1590 |    real(wp) :: rij(3),rij1,brij(3,2)
      |                     1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1591:21:
 1591 |    real(wp) :: rjk(3),rjk1,brjk(3,2)
      |                     1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1592:21:
 1592 |    real(wp) :: rkl(3),rkl1,brkl(3,2)
      |                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1325:19:
 1325 |    real(wp) :: beta,tij,tau
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1194:19:
 1194 |    real(wp) :: beta,tij,tau,dum(3,4,3,4)
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1193:35:
 1193 |    real(wp) :: cosfi2,cosfi3,cosfi4
      |                                   1
Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:979:20:
  979 |    real(wp) :: alpha
      |                    1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:593:19:
  593 |    real(wp) :: beta,tij,tau
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:19:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                   1
Warning: Unused variable ‘ir’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:24:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                        1
Warning: Unused variable ‘jr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:29:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                             1
Warning: Unused variable ‘kr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:34:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                                  1
Warning: Unused variable ‘lr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:469:30:
  469 |    real(wp) :: rij(3),rij0,aij,rij2,d0ij,gij
      |                              1
Warning: Unused variable ‘aij’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:470:30:
  470 |    real(wp) :: rjk(3),rjk0,ajk,rjk2,d0jk,gjk
      |                              1
Warning: Unused variable ‘ajk’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:471:30:
  471 |    real(wp) :: rkl(3),rkl0,akl,rkl2,d0kl,gkl
      |                              1
Warning: Unused variable ‘akl’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:473:19:
  473 |    real(wp) :: beta,tij,tau
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:472:35:
  472 |    real(wp) :: cosfi2,cosfi3,cosfi4
      |                                   1
Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:264:20:
  264 |    real(wp) :: alpha
      |                    1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:3155:38:
 3155 |       subroutine getqqxy(dx,dy,qq,c6,r,r2,r3,rpa,r02,d2)
      |                                      1
Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument]
../src/model_hessian.f90:2135:21:
 2135 |       real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), &
      |                     1
Warning: Unused variable ‘alphavdw’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2135:27:
 2135 |       real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), &
      |                           1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2136:24:
 2136 |      &   vdw(3,3), dr(3)
      |                        1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2137:18:
 2137 |       integer kxyz, lxyz
      |                  1
Warning: Unused variable ‘kxyz’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2137:24:
 2137 |       integer kxyz, lxyz
      |                        1
Warning: Unused variable ‘lxyz’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90: In function ‘__xtb_modelhessian_MOD_mh_swart’:
../src/model_hessian.f90:494:19: warning: ‘kl’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  494 |                if (ij.le.kl) cycle torsion_lAt
      |                   ^
../src/model_hessian.f90:464:34: note: ‘kl’ was declared here
  464 |    integer  :: i,j,k,l,ic,jc,ij,kl
      |                                  ^
[284/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_prmat.f90.o -c ../src/prmat.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prmat.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prmat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/prmat.f90:60:11:
   60 |       use iso_fortran_env, wp => real64
      |           1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/prmat.f90:130:19:
  130 |       IF(M)10,10,80
      |                   1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f90:149:14:
  149 |    20 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f90:162:14:
  162 |    30 K2=K2+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f90:163:16:
  163 |    40 KD=KD+NKPB
      |                1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f90:175:14:
  175 |    60 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f90:188:17:
  188 |       DO 90 J=1,N
      |                 1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f90:191:22:
  191 |    90 I2=I1+(NKPB-1)*N
      |                      1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f90:221:19:
  221 |       IF(M)10,10,80
      |                   1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f90:240:14:
  240 |    20 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f90:253:14:
  253 |    30 K2=K2+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f90:254:16:
  254 |    40 KD=KD+NKPB
      |                1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f90:266:14:
  266 |    60 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f90:279:17:
  279 |       DO 90 J=1,N
      |                 1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f90:282:22:
  282 |    90 I2=I1+(NKPB-1)*N
      |                      1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f90:313:19:
  313 |       IF(M)10,10,80
      |                   1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f90:332:14:
  332 |    20 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f90:345:14:
  345 |    30 K2=K2+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f90:346:16:
  346 |    40 KD=KD+NKPB
      |                1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f90:358:14:
  358 |    60 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f90:371:17:
  371 |       DO 90 J=1,N
      |                 1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f90:374:22:
  374 |    90 I2=I1+(NKPB-1)*N
      |                      1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f90:404:19:
  404 |       IF(M)10,10,80
      |                   1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/prmat.f90:423:14:
  423 |    20 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/prmat.f90:436:14:
  436 |    30 K2=K2+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1)
../src/prmat.f90:437:16:
  437 |    40 KD=KD+NKPB
      |                1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1)
../src/prmat.f90:449:14:
  449 |    60 K2=K1+KK
      |              1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1)
../src/prmat.f90:462:17:
  462 |       DO 90 J=1,N
      |                 1
Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1)
../src/prmat.f90:465:22:
  465 |    90 I2=I1+(NKPB-1)*N
      |                      1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1)
../src/prmat.f90:116:4:
  116 |  100  FORMAT('atoms : ',2X,6(4X,I4,2X))
      |    1
Warning: Label 100 at (1) defined but not used [-Wunused-label]
../src/prmat.f90:503:4:
  503 |  100  format(' #     : ',2x,6(4x,i4,2x))
      |    1
Warning: Label 100 at (1) defined but not used [-Wunused-label]
../src/prmat.f90:525:4:
  525 |  100  format(' #     : ',2x,6(4x,i4,2x))
      |    1
Warning: Label 100 at (1) defined but not used [-Wunused-label]
[285/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_freq_project.f90.o -c ../src/freq/project.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/freq/project.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/freq/project.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[286/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_ctfile.f90.o -c ../src/io/reader/ctfile.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/ctfile.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/ctfile.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[287/541] true
[288/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_gaussian.f90.o -c ../src/io/reader/gaussian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/gaussian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/gaussian.f90:43:19:
   43 |    real(wp) :: conv
      |                   1
Warning: Unused variable ‘conv’ declared at (1) [-Wunused-variable]
[289/541] true
[290/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_genformat.f90.o -c ../src/io/reader/genformat.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/genformat.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/genformat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/genformat.f90:160:41:
  160 |    integer :: error, ndim, ii, jj, jbatch, iline
      |                                         1
Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable]
../src/io/reader/genformat.f90:158:40:
  158 |    character(len=:), allocatable :: line
      |                                        1
Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable]
../src/io/reader/genformat.f90: In function ‘__xtb_io_reader_genformat_MOD_readhessiandftbplus’:
../src/io/reader/genformat.f90:165: warning: ‘error’ is used uninitialized in this function [-Wuninitialized]
  165 |    if (error /= 0) then
      | 
[291/541] true
[292/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_pdb.f90.o -c ../src/io/reader/pdb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/pdb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/pdb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[293/541] true
[294/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_vasp.f90.o -c ../src/io/reader/vasp.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/vasp.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/vasp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/vasp.f90:59:38:
   59 |    integer i,j,k,nn,ntype,ntype2,atnum,i_dummy1,i_dummy2,ncheck
      |                                      1
Warning: Unused variable ‘atnum’ declared at (1) [-Wunused-variable]
../src/io/reader/vasp.f90:59:47:
   59 |    integer i,j,k,nn,ntype,ntype2,atnum,i_dummy1,i_dummy2,ncheck
      |                                               1
Warning: Unused variable ‘i_dummy1’ declared at (1) [-Wunused-variable]
../src/io/reader/vasp.f90:59:56:
   59 |    integer i,j,k,nn,ntype,ntype2,atnum,i_dummy1,i_dummy2,ncheck
      |                                                        1
Warning: Unused variable ‘i_dummy2’ declared at (1) [-Wunused-variable]
../src/io/reader/vasp.f90:59:32:
   59 |    integer i,j,k,nn,ntype,ntype2,atnum,i_dummy1,i_dummy2,ncheck
      |                                1
Warning: Unused variable ‘ntype2’ declared at (1) [-Wunused-variable]
../src/io/reader/vasp.f90:52:18:
   52 |    real(wp) xx(10),scalar
      |                  1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
[295/541] true
[296/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_ncoord.f90.o -c ../src/disp/ncoord.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/ncoord.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/ncoord.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/disp/ncoord.f90:1041:34:
 1041 |    real(wp) :: rij(3), r, rco, den, rr, r2, t(3)
      |                                  1
Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:1041:38:
 1041 |    real(wp) :: rij(3), r, rco, den, rr, r2, t(3)
      |                                      1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:969:34:
  969 |    real(wp) :: rij(3), r, rco, den, rr, r2, t(3)
      |                                  1
Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:969:38:
  969 |    real(wp) :: rij(3), r, rco, den, rr, r2, t(3)
      |                                      1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:770:42:
  770 |    real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp
      |                                          1
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:700:53:
  700 |    real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp
      |                                                     1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:700:42:
  700 |    real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp
      |                                          1
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:587:46:
  587 |    real(wp) :: rij(3), r, rco, den, rr, r2, xn, tmp
      |                                              1
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:481:34:
  481 |    real(wp) :: rij(3), r, rco, den, rr, r2, tmp
      |                                  1
Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:481:38:
  481 |    real(wp) :: rij(3), r, rco, den, rr, r2, tmp
      |                                      1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:397:34:
  397 |    real(wp) :: rij(3), r, rco, den, rr, r2, t(3)
      |                                  1
Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:397:38:
  397 |    real(wp) :: rij(3), r, rco, den, rr, r2, t(3)
      |                                      1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:346:22:
  346 |    real(wp) :: expterm
      |                      1
Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable]
../src/disp/ncoord.f90:292:34:
  292 |    real(wp) :: rij(3), r, rco, den, tmp, r2
      |                                  1
Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable]
[297/541] true
[298/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_ctfile.f90.o -c ../src/io/writer/ctfile.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/ctfile.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/ctfile.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[299/541] true
[300/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_gaussian.f90.o -c ../src/io/writer/gaussian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/gaussian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[301/541] true
[302/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_genformat.f90.o -c ../src/io/writer/genformat.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/genformat.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/genformat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[303/541] true
[304/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_orca.f90.o -c ../src/io/writer/orca.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/orca.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/orca.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[305/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_pdb.f90.o -c ../src/io/writer/pdb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/pdb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/pdb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[306/541] true
[307/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_turbomole.f90.o -c ../src/io/writer/turbomole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/turbomole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/writer/turbomole.f90: In function ‘__xtb_io_writer_turbomole_MOD_writenormalmodesturbomole’:
../src/io/writer/turbomole.f90:177: warning: ‘h.offset’ is used uninitialized in this function [-Wuninitialized]
  177 |    h = normalModes
      | 
../src/io/writer/turbomole.f90:177: warning: ‘h.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/io/writer/turbomole.f90:177: warning: ‘h.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/io/writer/turbomole.f90:177: warning: ‘h.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/io/writer/turbomole.f90:177: warning: ‘h.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[308/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd3.f90.o -c ../src/disp/dftd3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/dftd3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/dftd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/disp/dftd3.f90:745:60:
  745 |    integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik
      |                                                            1
Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:723:42:
  723 |       & (mol, neighs, neighlist, par, r4r2, c6, dc6dcn, &
      |                                          1
Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd3.f90:693:27:
  693 |    integer :: iat, jat, ati, atj, ij, img
      |                           1
Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:693:32:
  693 |    integer :: iat, jat, ati, atj, ij, img
      |                                1
Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:63:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                                               1
Warning: Unused variable ‘d10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:54:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                                      1
Warning: Unused variable ‘d6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:58:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                                          1
Warning: Unused variable ‘d8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:696:47:
  696 |    real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp
      |                                               1
Warning: Unused variable ‘ddisp’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:696:17:
  696 |    real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp
      |                 1
Warning: Unused variable ‘de’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:696:24:
  696 |    real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp
      |                        1
Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:696:40:
  696 |    real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp
      |                                        1
Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:696:34:
  696 |    real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp
      |                                  1
Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:693:17:
  693 |    integer :: iat, jat, ati, atj, ij, img
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:693:36:
  693 |    integer :: iat, jat, ati, atj, ij, img
      |                                    1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:693:41:
  693 |    integer :: iat, jat, ati, atj, ij, img
      |                                         1
Warning: Unused variable ‘img’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:693:22:
  693 |    integer :: iat, jat, ati, atj, ij, img
      |                      1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:25:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                         1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:37:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:21:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                     1
Warning: Unused variable ‘r4r2ij’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:33:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                 1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:50:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                                  1
Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:41:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                         1
Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:695:45:
  695 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                             1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:484:29:
  484 |       & (mol, neighs, neighs3, neighlist, par, weighting_factor, &
      |                             1
Warning: Unused dummy argument ‘neighs3’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd3.f90:393:38:
  393 |       & (mol, trans, cutoff, par, r4r2, c6, dc6dcn, &
      |                                      1
Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd3.f90:72:36:
   72 |    integer :: iat, ati, iref, icount
      |                                    1
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f90:884:0:
  884 | elemental function pair_scale(iat, jat) result(scale)
      | 
Warning: ‘pair_scale’ defined but not used [-Wunused-function]
[309/541] true
[310/541] true
[311/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd3.f.o -c ../src/disp/dftd3.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/dftd3.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/dftd3.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/disp/dftd3.f:345:4:
  345 |  999  continue
      |    1
Warning: Label 999 at (1) defined but not used [-Wunused-label]
../src/disp/dftd3.f:377:15:
  377 |       integer i,j,a,b
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:363:28:
  363 |      .           izi,izj,iat,jat,c6check,dc6i,dc6j)
      |                            1
Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd3.f:377:17:
  377 |       integer i,j,a,b
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:363:32:
  363 |      .           izi,izj,iat,jat,c6check,dc6i,dc6j)
      |                                1
Warning: Unused dummy argument ‘jat’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd3.f:59:24:
   59 |       real(wp) dc6,c6chk !d(C6ij)/d(r_ij)
      |                        1
Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:49:46:
   49 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                                              1
Warning: Unused variable ‘c8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:46:61:
   46 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                                             1
Warning: Unused variable ‘damp1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:47:33:
   47 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                 1
Warning: Unused variable ‘damp10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:47:20:
   47 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                    1
Warning: Unused variable ‘damp6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:47:26:
   47 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                          1
Warning: Unused variable ‘damp8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:59:18:
   59 |       real(wp) dc6,c6chk !d(C6ij)/d(r_ij)
      |                  1
Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:60:27:
   60 |       real(wp) expterm,dcni
      |                           1
Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:47:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                               1
Warning: Unused variable ‘displ’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:41:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                         1
Warning: Unused variable ‘dispr’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:57:19:
   57 |       real(wp) drik,drjk
      |                   1
Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:57:24:
   57 |       real(wp) drik,drjk
      |                        1
Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:46:17:
   46 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:46:20:
   46 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:46:23:
   46 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:47:43:
   47 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                           1
Warning: Unused variable ‘e10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:47:47:
   47 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                               1
Warning: Unused variable ‘e12’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:47:36:
   47 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                    1
Warning: Unused variable ‘e6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:45:57:
   45 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                                         1
Warning: Unused variable ‘e6abc’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:47:39:
   47 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                       1
Warning: Unused variable ‘e8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:42:18:
   42 |       logical echo
      |                  1
Warning: Unused variable ‘echo’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:25:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                         1
Warning: Unused variable ‘gc6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:49:18:
   49 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                  1
Warning: Unused variable ‘gx1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:49:30:
   49 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                              1
Warning: Unused variable ‘gx2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:49:22:
   49 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                      1
Warning: Unused variable ‘gy1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:49:34:
   49 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                                  1
Warning: Unused variable ‘gy2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:49:26:
   49 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                          1
Warning: Unused variable ‘gz1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:49:38:
   49 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                                      1
Warning: Unused variable ‘gz2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:44:23:
   44 |       integer iat,jat,i,j,kat
      |                       1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:44:25:
   44 |       integer iat,jat,i,j,kat
      |                         1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:85:38:
   85 |       integer mat,linim,linjm,linkm,kk
      |                                      1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:79:19:
   79 |       real(wp) labc,rabc
      |                   1
Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:85:23:
   85 |       integer mat,linim,linjm,linkm,kk
      |                       1
Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:85:29:
   85 |       integer mat,linim,linjm,linkm,kk
      |                             1
Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:85:35:
   85 |       integer mat,linim,linjm,linkm,kk
      |                                   1
Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:85:17:
   85 |       integer mat,linim,linjm,linkm,kk
      |                 1
Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:46:41:
   46 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                         1
Warning: Unused variable ‘r10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:46:45:
   46 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                             1
Warning: Unused variable ‘r12’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:52:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                                    1
Warning: Unused variable ‘r235’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:79:24:
   79 |       real(wp) labc,rabc
      |                        1
Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:54:28:
   54 |       real(wp) rij(3),rik(3),rjk(3),r7,r9
      |                            1
Warning: Unused variable ‘rik’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:55:23:
   55 |       real(wp) rik_dist,rjk_dist
      |                       1
Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:54:35:
   54 |       real(wp) rij(3),rik(3),rjk(3),r7,r9
      |                                   1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:55:32:
   55 |       real(wp) rik_dist,rjk_dist
      |                                1
Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:45:51:
   45 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                                   1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:52:18:
   52 |       real(wp) rs6,rs8
      |                  1
Warning: Unused variable ‘rs6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:52:22:
   52 |       real(wp) rs6,rs8
      |                      1
Warning: Unused variable ‘rs8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:50:20:
   50 |       real(wp) rthr3,s6
      |                    1
Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:18:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                  1
Warning: Unused variable ‘s10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:35:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                   1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:46:55:
   46 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                                       1
Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:30:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                              1
Warning: Unused variable ‘term’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:48:57:
   48 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                                         1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:66:21:
   66 |       real(wp) vec(3),vec2(3)
      |                     1
Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:66:29:
   66 |       real(wp) vec(3),vec2(3)
      |                             1
Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:45:42:
   45 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                          1
Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:45:36:
   45 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                    1
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:45:45:
   45 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                             1
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:45:39:
   45 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                       1
Warning: Unused variable ‘z1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:45:48:
   45 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                                1
Warning: Unused variable ‘z2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:469:24:
  469 |       real(wp) dc6,c6chk !d(C6ij)/d(r_ij)
      |                        1
Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:461:46:
  461 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                                              1
Warning: Unused variable ‘c8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:61:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                                             1
Warning: Unused variable ‘damp1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:33:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                 1
Warning: Unused variable ‘damp10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:20:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                    1
Warning: Unused variable ‘damp6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:26:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                          1
Warning: Unused variable ‘damp8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:491:61:
  491 |       real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang
      |                                                             1
Warning: Unused variable ‘dang’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:469:18:
  469 |       real(wp) dc6,c6chk !d(C6ij)/d(r_ij)
      |                  1
Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:491:50:
  491 |       real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang
      |                                                  1
Warning: Unused variable ‘dc9’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:470:27:
  470 |       real(wp) expterm,dcni
      |                           1
Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:491:56:
  491 |       real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang
      |                                                        1
Warning: Unused variable ‘dfdmp’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:33:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                 1
Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:47:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                               1
Warning: Unused variable ‘displ’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:41:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                         1
Warning: Unused variable ‘dispr’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:467:19:
  467 |       real(wp) drik,drjk
      |                   1
Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:467:24:
  467 |       real(wp) drik,drjk
      |                        1
Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:17:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:20:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:23:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:43:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                           1
Warning: Unused variable ‘e10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:47:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                               1
Warning: Unused variable ‘e12’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:36:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                    1
Warning: Unused variable ‘e6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:57:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                                         1
Warning: Unused variable ‘e6abc’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:39:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                       1
Warning: Unused variable ‘e8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:470:22:
  470 |       real(wp) expterm,dcni
      |                      1
Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:25:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                         1
Warning: Unused variable ‘gc6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:461:18:
  461 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                  1
Warning: Unused variable ‘gx1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:461:30:
  461 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                              1
Warning: Unused variable ‘gx2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:461:22:
  461 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                      1
Warning: Unused variable ‘gy1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:461:34:
  461 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                                  1
Warning: Unused variable ‘gy2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:461:26:
  461 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                          1
Warning: Unused variable ‘gz1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:461:38:
  461 |       real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr
      |                                      1
Warning: Unused variable ‘gz2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:456:23:
  456 |       integer iat,jat,i,j,kat
      |                       1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:456:25:
  456 |       integer iat,jat,i,j,kat
      |                         1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:493:38:
  493 |       integer mat,linim,linjm,linkm,kk
      |                                      1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:487:19:
  487 |       real(wp) labc,rabc
      |                   1
Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:493:23:
  493 |       integer mat,linim,linjm,linkm,kk
      |                       1
Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:493:29:
  493 |       integer mat,linim,linjm,linkm,kk
      |                             1
Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:493:35:
  493 |       integer mat,linim,linjm,linkm,kk
      |                                   1
Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:493:17:
  493 |       integer mat,linim,linjm,linkm,kk
      |                 1
Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:41:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                         1
Warning: Unused variable ‘r10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:45:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                             1
Warning: Unused variable ‘r12’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:52:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                                    1
Warning: Unused variable ‘r235’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:31:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                               1
Warning: Unused variable ‘r4’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:28:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                            1
Warning: Unused variable ‘r42’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:34:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                  1
Warning: Unused variable ‘r6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:464:38:
  464 |       real(wp) rij(3),rik(3),rjk(3),r7,r9
      |                                      1
Warning: Unused variable ‘r7’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:37:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                     1
Warning: Unused variable ‘r8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:464:41:
  464 |       real(wp) rij(3),rik(3),rjk(3),r7,r9
      |                                         1
Warning: Unused variable ‘r9’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:487:24:
  487 |       real(wp) labc,rabc
      |                        1
Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:468:21:
  468 |       real(wp) rcovij
      |                     1
Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:464:28:
  464 |       real(wp) rij(3),rik(3),rjk(3),r7,r9
      |                            1
Warning: Unused variable ‘rik’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:465:23:
  465 |       real(wp) rik_dist,rjk_dist
      |                       1
Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:464:35:
  464 |       real(wp) rij(3),rik(3),rjk(3),r7,r9
      |                                   1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:465:32:
  465 |       real(wp) rik_dist,rjk_dist
      |                                1
Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:51:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                                   1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:462:20:
  462 |       real(wp) rthr3,s6
      |                    1
Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:18:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                  1
Warning: Unused variable ‘s10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:35:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                   1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:55:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                                       1
Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:48:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                                1
Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:458:51:
  458 |       real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1
      |                                                   1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:30:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                              1
Warning: Unused variable ‘term’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:459:52:
  459 |       real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1
      |                                                    1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:460:57:
  460 |       real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2
      |                                                         1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:476:21:
  476 |       real(wp) vec(3),vec2(3)
      |                     1
Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:476:29:
  476 |       real(wp) vec(3),vec2(3)
      |                             1
Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:480:31:
  480 |       real(wp) dc6iji,dc6ijj,x1
      |                               1
Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:42:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                          1
Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:36:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                    1
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:45:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                             1
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:39:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                       1
Warning: Unused variable ‘z1’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:457:48:
  457 |       real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc
      |                                                1
Warning: Unused variable ‘z2’ declared at (1) [-Wunused-variable]
../src/disp/dftd3.f:598:39:
  598 |       real(wp)  cn1,cn2,r,rsum,csum,tmp,tmp1
      |                                       1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
[312/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_xyz.f90.o -c ../src/io/writer/xyz.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/xyz.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/xyz.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[313/541] true
[314/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_vasp.f90.o -c ../src/io/writer/vasp.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/vasp.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/vasp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[315/541] true
[316/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_calculator.f90.o -c ../src/type/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[317/541] true
[318/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer.f90.o -c ../src/io/writer.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[319/541] true
[320/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_coffee.f90.o -c ../src/coffee.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/coffee.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/coffee.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[321/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_detrotra.f90.o -c ../src/detrotra.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/detrotra.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/detrotra.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[322/541] true
[323/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_identitymap.f90.o -c ../src/type/identitymap.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/identitymap.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/identitymap.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[324/541] true
[325/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_latticepoint.f90.o -c ../src/type/latticepoint.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/latticepoint.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/latticepoint.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[326/541] true
[327/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_anc.f90.o -c ../src/type/anc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/anc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/anc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/anc.f90:361:18:
  361 |    real(wp) :: dum
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:17:
  359 |    integer :: m,i,j,k
      |                 1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:19:
  359 |    integer :: m,i,j,k
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:21:
  359 |    integer :: m,i,j,k
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:15:
  359 |    integer :: m,i,j,k
      |               1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:225:0:
  225 | subroutine generate_anc_packed(self,xyz,hess,pr)
      | 
Warning: ‘generate_anc_packed’ defined but not used [-Wunused-function]
[328/541] true
[329/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_repulsion.f90.o -c ../src/xtb/repulsion.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/repulsion.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/repulsion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/repulsion.f90:148:41:
  148 |    real(wp) :: alpha, zeff, kExp, cutoff2
      |                                         1
Warning: Unused variable ‘cutoff2’ declared at (1) [-Wunused-variable]
[330/541] true
[331/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_coordinationnumber.f90.o -c ../src/disp/coordinationnumber.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/coordinationnumber.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[332/541] true
[333/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_generate_wsc.f90.o -c ../src/generate_wsc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/generate_wsc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/generate_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/generate_wsc.f90:32:24:
   32 |    integer  :: ii,jj,ich
      |                        1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
[334/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_iniq.f90.o -c ../src/iniq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/iniq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/iniq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/iniq.f90:264:35:
  264 | pure subroutine iniqcn_gfn2(nat,nel,at,z,xyz,chrg,q,cn)
      |                                   1
Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument]
../src/iniq.f90:195:35:
  195 | pure subroutine iniqcn_gfn1(nat,nel,at,z,xyz,chrg,kchrg1,q,cn)
      |                                   1
Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument]
../src/iniq.f90:128:34:
  128 | pure subroutine iniqcn_vtb(nat,nel,at,z,xyz,chrg,q,cn)
      |                                  1
Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument]
[335/541] true
[336/541] true
[337/541] true
[338/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_qsort.f90.o -c ../src/qsort.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/qsort.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/qsort.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qsort.f90:51:22:
   51 |   integer  :: i, j, ii
      |                      1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
[339/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_readl2.f90.o -c ../src/readl2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/readl2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/readl2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/readl2.f90:74:12:
   74 |    integer i,e,ty
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
[340/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_readl.f90.o -c ../src/readl.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/readl.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/readl.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/readl.f90:121:5:
  121 |    61  continue
      |     1
Warning: Label 61 at (1) defined but not used [-Wunused-label]
[341/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_coulomb.f90.o -c ../src/type/coulomb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/coulomb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/coulomb.f90:177:21:
  177 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
[342/541] true
[343/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_restart.f90.o -c ../src/restart.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/restart.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/restart.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/restart.f90:174:32:
  174 | subroutine write_restart_gff(env,fname,nat,version,topo)
      |                                1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/restart.f90:153:27:
  153 | subroutine writeRestart(env,wfx,fname,gfn_method)
      |                           1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/restart.f90:105:19:
  105 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/restart.f90:32:41:
   32 | subroutine readRestart(env,wfx,fname,n,at,gfn_method,success,verbose)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/restart.f90:46:19:
   46 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[344/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd4.f90.o -c ../src/disp/dftd4.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/dftd4.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/dftd4.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/disp/dftd4.f90:1880:72:
 1880 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                                        1
Warning: Unused variable ‘dedq’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1880:53:
 1880 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                     1
Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1694:53:
 1694 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                     1
Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1459:60:
 1459 |    integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik
      |                                                            1
Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:823:31:
  823 |    real(wp) :: twf,norm,aiw(23)
      |                               1
Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:811:42:
  811 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6)
      |                                          1
Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:811:46:
  811 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6)
      |                                              1
Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:821:26:
  821 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                          1
Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:821:22:
  821 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                      1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:780:19:
  780 |    real(wp) :: qmod,iz
      |                   1
Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:726:19:
  726 |    real(wp) :: qmod,iz
      |                   1
Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:661:32:
  661 |    real(wp) :: c8abns,c10abns,r2,cutoff,oor6,oor8,oor10,r,gwgw,r4r2ij
      |                                1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:591:31:
  591 |    real(wp) :: twf,norm,aiw(23)
      |                               1
Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:578:38:
  578 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns)
      |                                      1
Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:578:42:
  578 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns)
      |                                          1
Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:589:26:
  589 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                          1
Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:589:22:
  589 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                      1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:382:30:
  382 |    real(wp)            :: tmp1, tmp2
      |                              1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:382:36:
  382 |    real(wp)            :: tmp1, tmp2
      |                                    1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:277:21:
  277 |       &     gw,c6abns,molc6,molc8,molpol,aout,cout,rout,vout)
      |                     1
Warning: Unused dummy argument ‘c6abns’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:295:27:
  295 |    integer  :: i,ii,ia,j,jj,ja,k,l
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:295:34:
  295 |    integer  :: i,ii,ia,j,jj,ja,k,l
      |                                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:297:19:
  297 |    real(wp) :: qmod,oth,iz
      |                   1
Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:276:40:
  276 | subroutine mdisp(dispm,nat,ndim,at,q,xyz,g_a,g_c, &
      |                                        1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:61:28:
   61 |    integer  :: cncount(0:18)
      |                            1
Warning: Unused variable ‘cncount’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:60:26:
   60 |    integer  :: i,ia,is,icn,j,ja,ii,jj,ij
      |                          1
Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:60:40:
   60 |    integer  :: i,ia,is,icn,j,ja,ii,jj,ij
      |                                        1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:60:31:
   60 |    integer  :: i,ia,is,icn,j,ja,ii,jj,ij
      |                               1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
[345/541] true
[346/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_dispersion.f90.o -c ../src/xtb/dispersion.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/dispersion.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/dispersion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[347/541] true
[348/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_eeq_model.f90.o -c ../src/eeq_model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/eeq_model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/eeq_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/eeq_model.f90:1064:18:
 1064 |    real(wp) :: arg,tmp,dtmp
      |                  1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1073:17:
 1073 |    real(wp) :: cf ! convergence factor
      |                 1
Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1054:41:
 1054 |    real(wp),allocatable :: dAmatdL(:,:,:)
      |                                         1
Warning: Unused variable ‘damatdl’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:36:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                                    1
Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1064:27:
 1064 |    real(wp) :: arg,tmp,dtmp
      |                           1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1056:41:
 1056 |    real(wp),allocatable :: dXvecdL(:,:,:)
      |                                         1
Warning: Unused variable ‘dxvecdl’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1097:35:
 1097 |    real(wp) :: gborn, ghb, r3, erft
      |                                   1
Warning: Unused variable ‘erft’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:20:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                    1
Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1063:20:
 1063 |    real(wp) :: gamij,gamij2
      |                    1
Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1063:27:
 1063 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1061:20:
 1061 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1061:22:
 1061 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1062:16:
 1062 |    real(wp) :: r,rij(3),r2
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1062:26:
 1062 |    real(wp) :: r,rij(3),r2
      |                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1097:29:
 1097 |    real(wp) :: gborn, ghb, r3, erft
      |                             1
Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1075:36:
 1075 |    integer              :: rep_cn(3)
      |                                    1
Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1062:23:
 1062 |    real(wp) :: r,rij(3),r2
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:27:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                           1
Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:46:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                                              1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1071:20:
 1071 |    integer  :: wscAt
      |                    1
Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:732:18:
  732 |    real(wp) :: arg,tmp,dtmp
      |                  1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:36:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                                    1
Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:732:27:
  732 |    real(wp) :: arg,tmp,dtmp
      |                           1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:20:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                    1
Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:731:20:
  731 |    real(wp) :: gamij,gamij2
      |                    1
Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:731:27:
  731 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:729:20:
  729 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:729:22:
  729 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:730:16:
  730 |    real(wp) :: r,rij(3),r2
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:730:26:
  730 |    real(wp) :: r,rij(3),r2
      |                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:730:23:
  730 |    real(wp) :: r,rij(3),r2
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:27:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                           1
Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:46:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                                              1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:739:20:
  739 |    integer  :: wscAt
      |                    1
Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:380:27:
  380 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:378:20:
  378 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:378:22:
  378 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:272:17:
  272 |    integer  :: dx,dy,dz,i,itr
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:272:20:
  272 |    integer  :: dx,dy,dz,i,itr
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:272:23:
  272 |    integer  :: dx,dy,dz,i,itr
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:274:19:
  274 |    real(wp) :: t(3),dtmp,stmp(3)
      |                   1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:242:17:
  242 |    integer  :: dx,dy,dz,itr
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:242:20:
  242 |    integer  :: dx,dy,dz,itr
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:242:23:
  242 |    integer  :: dx,dy,dz,itr
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:244:19:
  244 |    real(wp) :: t(3)
      |                   1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:181:22:
  181 |    real(wp) :: gVec(3)
      |                      1
Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:17:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                 1
Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:22:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                      1
Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:27:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                           1
Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:32:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                                1
Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:94:44:
   94 |    real(wp) :: gamii, gamij, riw(3), gVec(3)
      |                                            1
Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:34:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                  1
Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:39:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                       1
Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:44:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                            1
Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:49:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                                 1
Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable]
[349/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_coulomb_gaussian.f90.o -c ../src/coulomb/gaussian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/coulomb/gaussian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/coulomb/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/coulomb/gaussian.f90:145:21:
  145 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
[350/541] true
[351/541] true
[352/541] true
[353/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_gfn2.f90.o -c ../src/xtb/gfn2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/gfn2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/gfn2.f90:878:27:
  878 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:818:17:
  818 |    integer :: iZp, iSh, jSh
      |                 1
Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:817:33:
  817 |    integer :: mShell, nPrim, lAng
      |                                 1
Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:817:27:
  817 |    integer :: mShell, nPrim, lAng
      |                           1
Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:819:27:
  819 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
[354/541] true
[355/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o -c ../src/coulomb/klopmanohno.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/coulomb/klopmanohno.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/coulomb/klopmanohno.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/coulomb/klopmanohno.f90:198:21:
  198 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
[356/541] true
[357/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_rmrottr.f90.o -c ../src/rmrottr.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/rmrottr.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/rmrottr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/rmrottr.f90:97:25:
   97 |    integer         :: i,j
      |                         1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/rmrottr.f90:27:26:
   27 |    real*8          :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3)
      |                          1
Warning: Unused variable ‘fixx’ declared at (1) [-Wunused-variable]
../src/rmrottr.f90:27:41:
   27 |    real*8          :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3)
      |                                         1
Warning: Unused variable ‘fixy’ declared at (1) [-Wunused-variable]
../src/rmrottr.f90:27:46:
   27 |    real*8          :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3)
      |                                              1
Warning: Unused variable ‘fixz’ declared at (1) [-Wunused-variable]
../src/rmrottr.f90:27:31:
   27 |    real*8          :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3)
      |                               1
Warning: Unused variable ‘fiyy’ declared at (1) [-Wunused-variable]
../src/rmrottr.f90:27:51:
   27 |    real*8          :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3)
      |                                                   1
Warning: Unused variable ‘fiyz’ declared at (1) [-Wunused-variable]
../src/rmrottr.f90:27:36:
   27 |    real*8          :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3)
      |                                    1
Warning: Unused variable ‘fizz’ declared at (1) [-Wunused-variable]
[358/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_rmsd.f90.o -c ../src/rmsd.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/rmsd.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/rmsd.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/rmsd.f90:64:32:
   64 |    character*80 atmp1,atmp2,atmp
      |                                1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/rmsd.f90:68:17:
   68 |    integer n,idum
      |                 1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
[359/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_eeq.f90.o -c ../src/xtb/eeq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/eeq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/eeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[360/541] true
[361/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_gfn0.f90.o -c ../src/xtb/gfn0.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/gfn0.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/gfn0.f90:792:22:
  792 |    integer :: iZp, iSh
      |                      1
Warning: Unused variable ‘ish’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:792:17:
  792 |    integer :: iZp, iSh
      |                 1
Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:791:33:
  791 |    integer :: mShell, nPrim, lAng
      |                                 1
Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:791:27:
  791 |    integer :: mShell, nPrim, lAng
      |                           1
Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:793:27:
  793 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:767:35:
  767 | subroutine initCoulomb(self, nShell)
      |                                   1
Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument]
[362/541] true
[363/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_encharges.f90.o -c ../src/disp/encharges.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/encharges.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/encharges.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[364/541] true
[365/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_scanparam.f90.o -c ../src/scanparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/scanparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/scanparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scanparam.f90:121:35:
  121 | subroutine setup_constrain_pot(n,at,xyz)
      |                                   1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
[366/541] true
[367/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_shiftlp.f90.o -c ../src/shiftlp.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/shiftlp.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/shiftlp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/shiftlp.f90:19:23:
   19 | subroutine shiftlp(n,at,ia1,xyz,ex,ey,ez)
      |                       1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/shiftlp.f90: In function ‘shiftlp_’:
../src/shiftlp.f90:66: warning: ‘zsave’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   66 |    ez=zsave
      | 
../src/shiftlp.f90:65: warning: ‘ysave’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   65 |    ey=ysave
      | 
../src/shiftlp.f90:64: warning: ‘xsave’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   64 |    ex=xsave
      | 
[368/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfn_paramset.f90.o -c ../src/gfn_paramset.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfn_paramset.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfn_paramset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfn_paramset.f90:60:7:
   60 |    use xtb_aoparam, only : kpair
      |       1
Warning: Unused module variable ‘kpair’ which has been explicitly imported at (1) [-Wunused-variable]
../src/gfn_paramset.f90:47:42:
   47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData)
      |                                          1
Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:47:34:
   47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData)
      |                                  1
Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:47:50:
   47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData)
      |                                                  1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:37:42:
   37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData)
      |                                          1
Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:37:34:
   37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData)
      |                                  1
Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:37:50:
   37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData)
      |                                                  1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:28:42:
   28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData)
      |                                          1
Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:28:34:
   28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData)
      |                                  1
Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:28:50:
   28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData)
      |                                                  1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
[369/541] true
[370/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_setparam.f90.o -c ../src/setparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/setparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/setparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[371/541] true
[372/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_single.f90.o -c ../src/single.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/single.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/single.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/single.f90:44:50:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                                                  1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/single.f90:44:16:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/single.f90:44:46:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                                              1
Warning: Unused dummy argument ‘lgrad’ at (1) [-Wunused-dummy-argument]
../src/single.f90:44:24:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                        1
Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument]
../src/single.f90:49:24:
   49 |    type(tb_pcem) :: pcem
      |                        1
Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable]
[373/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_slater.f90.o -c ../src/slater.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/slater.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/slater.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[374/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_extern_turbomole.f90.o -c ../src/extern/turbomole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/extern/turbomole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/extern/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/extern/turbomole.f90:107:8:
  107 |    use iso_fortran_env, wp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/extern/turbomole.f90:28:26:
   28 |    character(len=255) atmp
      |                          1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/extern/turbomole.f90:18:68:
   18 | subroutine external_turbomole(n,at,xyz,nel,nopen,grd,eel,g,dip,lsolv)
      |                                                                    1
Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument]
../src/extern/turbomole.f90:18:42:
   18 | subroutine external_turbomole(n,at,xyz,nel,nopen,grd,eel,g,dip,lsolv)
      |                                          1
Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument]
../src/extern/turbomole.f90:18:48:
   18 | subroutine external_turbomole(n,at,xyz,nel,nopen,grd,eel,g,dip,lsolv)
      |                                                1
Warning: Unused dummy argument ‘nopen’ at (1) [-Wunused-dummy-argument]
[375/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_getname.f90.o -c ../src/getname.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/getname.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/getname.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[376/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_json.f90.o -c ../src/main/json.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/json.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/json.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/json.f90:58:16:
   58 |       (ijson,mol,wfx,xbas,sccres,freqres)
      |                1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/main/json.f90:58:25:
   58 |       (ijson,mol,wfx,xbas,sccres,freqres)
      |                         1
Warning: Unused dummy argument ‘xbas’ at (1) [-Wunused-dummy-argument]
[377/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_printout.f90.o -c ../src/printout.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/printout.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/printout.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/printout.f90:72:15:
   72 |    integer :: i,l,err
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/printout.f90:38:43:
   38 |    logical                         :: exist
      |                                           1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[378/541] true
[379/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_cube.f90.o -c ../src/cube.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/cube.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/cube.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/cube.f90:221:40:
  221 |                               cb(k,j,i)=cb(k,j,i)+cc*f1*f2
      |                                        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/cube.f90:38:41:
   38 | subroutine cube(n,nmo,nbf,xyz,at,cmo,eval,occ,fname,basis)
      |                                         1
Warning: Unused dummy argument ‘eval’ at (1) [-Wunused-dummy-argument]
../src/cube.f90:63:23:
   63 |    real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3
      |                       1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/cube.f90:62:18:
   62 |    real*8 thr,thr3,intcut,intcut2
      |                  1
Warning: Unused variable ‘thr3’ declared at (1) [-Wunused-variable]
../src/cube.f90:64:55:
   64 |    real*8 step,px,py,pz,xinc,yinc,zinc,nx,ny,nz,vv(1),v,est,nfod
      |                                                       1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/cube.f90:63:30:
   63 |    real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3
      |                              1
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
../src/cube.f90:64:53:
   64 |    real*8 step,px,py,pz,xinc,yinc,zinc,nx,ny,nz,vv(1),v,est,nfod
      |                                                     1
Warning: Unused variable ‘vv’ declared at (1) [-Wunused-variable]
[380/541] true
[381/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lidep.f90.o -c ../src/lidep.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lidep.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lidep.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/lidep.f90:520:49:
  520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                                                 1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:520:27:
  520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                           1
Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:534:15:
  534 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/lidep.f90:536:44:
  536 |    integer, allocatable :: iwork(:),ifail(:)
      |                                            1
Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable]
../src/lidep.f90:520:45:
  520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                                             1
Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:534:45:
  534 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                                             1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/lidep.f90:536:35:
  536 |    integer, allocatable :: iwork(:),ifail(:)
      |                                   1
Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable]
../src/lidep.f90:534:17:
  534 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/lidep.f90:534:35:
  534 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                                   1
Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable]
../src/lidep.f90:534:42:
  534 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                                          1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/lidep.f90:520:53:
  520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                                                     1
Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:473:48:
  473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                                                1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:473:26:
  473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                          1
Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:491:36:
  491 |    real(wp),allocatable :: Haux(:,:),Paux(:,:)
      |                                    1
Warning: Unused variable ‘haux’ declared at (1) [-Wunused-variable]
../src/lidep.f90:487:15:
  487 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/lidep.f90:489:44:
  489 |    integer, allocatable :: iwork(:),ifail(:)
      |                                            1
Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable]
../src/lidep.f90:473:44:
  473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                                            1
Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:487:45:
  487 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                                             1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/lidep.f90:489:35:
  489 |    integer, allocatable :: iwork(:),ifail(:)
      |                                   1
Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable]
../src/lidep.f90:487:17:
  487 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/lidep.f90:487:35:
  487 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                                   1
Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable]
../src/lidep.f90:487:42:
  487 |    integer :: i,j,info,lwork,liwork,nfound,iu
      |                                          1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/lidep.f90:491:46:
  491 |    real(wp),allocatable :: Haux(:,:),Paux(:,:)
      |                                              1
Warning: Unused variable ‘paux’ declared at (1) [-Wunused-variable]
../src/lidep.f90:473:52:
  473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail)
      |                                                    1
Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:433:20:
  433 |     integer :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/lidep.f90:433:22:
  433 |     integer :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/lidep.f90:423:31:
  423 | subroutine buildtrafoX(ndim,ssq,U,sisq,newdim,X)
      |                               1
Warning: Unused dummy argument ‘ssq’ at (1) [-Wunused-dummy-argument]
../src/lidep.f90:364:24:
  364 |     integer  :: i,j,imax
      |                        1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/lidep.f90:364:19:
  364 |     integer  :: i,j,imax
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/lidep.f90:173:16:
  173 |     integer :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/lidep.f90:177:34:
  177 |     real(wp),allocatable :: P(:,:),P2(:,:)
      |                                  1
Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable]
../src/lidep.f90:177:42:
  177 |     real(wp),allocatable :: P(:,:),P2(:,:)
      |                                          1
Warning: Unused variable ‘p2’ declared at (1) [-Wunused-variable]
../src/lidep.f90:124:19:
  124 |     integer :: ierr,i,j,k,l
      |                   1
Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable]
../src/lidep.f90:124:25:
  124 |     integer :: ierr,i,j,k,l
      |                         1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/lidep.f90:124:27:
  124 |     integer :: ierr,i,j,k,l
      |                           1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[382/541] true
[383/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_qpot.f90.o -c ../src/qpot.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/qpot.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/qpot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qpot.f90:202:48:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                                                1
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/qpot.f90:200:13:
  200 |    logical da
      |             1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:27:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                           1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/qpot.f90:201:18:
  201 |    integer iat,i,j,k,nn,ni
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qpot.f90:201:26:
  201 |    integer iat,i,j,k,nn,ni
      |                          1
Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable]
../src/qpot.f90:201:23:
  201 |    integer iat,i,j,k,nn,ni
      |                       1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:45:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                                             1
Warning: Unused variable ‘pi’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:33:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                                 1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:30:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                              1
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
../src/qpot.f90:136:18:
  136 |    integer i,j,k,l,n
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/qpot.f90:28:26:
   28 |    character(80) fname,a80
      |                          1
Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable]
../src/qpot.f90:26:33:
   26 |    integer i,j,k,nread,at(natoms)
      |                                 1
Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable]
../src/qpot.f90:29:13:
   29 |    logical ex
      |             1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/qpot.f90:28:22:
   28 |    character(80) fname,a80
      |                      1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/qpot.f90:18:29:
   18 | subroutine qpotini(natoms,iat,xyz)
      |                             1
Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument]
../src/qpot.f90:26:22:
   26 |    integer i,j,k,nread,at(natoms)
      |                      1
Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable]
../src/qpot.f90:27:26:
   27 |    real(wp) xyzf(3,natoms),rij(3)
      |                          1
Warning: Unused variable ‘xyzf’ declared at (1) [-Wunused-variable]
../src/qpot.f90:57:17:
   57 |    integer n,nn,j,nat,k,nfix
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qpot.f90:57:23:
   57 |    integer n,nn,j,nat,k,nfix
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/qpot.f90:88:30:
   88 | subroutine rdfix(nat,n,xyz,iat,fname,fixed)
      |                              1
Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument]
[384/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_readin.f90.o -c ../src/readin.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/readin.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/readin.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/readin.f90:325:31:
  325 | subroutine readlog(fname,nat,at,xyz,nstruc)
      |                               1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/readin.f90:336:26:
  336 |    real(wp) :: floats(3),f
      |                          1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/readin.f90:338:18:
  338 |    integer  :: j,k,cs,cf,ncheck
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/readin.f90:338:31:
  338 |    integer  :: j,k,cs,cf,ncheck
      |                               1
Warning: Unused variable ‘ncheck’ declared at (1) [-Wunused-variable]
../src/readin.f90:280:21:
  280 |    integer :: i,j,k,l,err
      |                     1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
[385/541] true
[386/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_shake_module.f90.o -c ../src/shake_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/shake_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/shake_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/shake_module.f90:141:2:
  141 | 99 ncons  = nconsu
      |  1
Warning: Label 99 at (1) defined but not used [-Wunused-label]
../src/shake_module.f90:168:13:
  168 |    real(wp) r, dev,dist,denom
      |             1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/shake_module.f90:163:18:
  163 |    real(wp) vel(3)
      |                  1
Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable]
../src/shake_module.f90:161:20:
  161 |    real(wp) virsh(3),tstep
      |                    1
Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable]
../src/shake_module.f90:50:19:
   50 |    integer :: nbond
      |                   1
Warning: Unused variable ‘nbond’ declared at (1) [-Wunused-variable]
../src/shake_module.f90: In function ‘__xtb_shake_MOD_init_shake’:
../src/shake_module.f90:93: warning: ‘jmin’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   93 |                   conslistu(2,nconsu) = jmin
      | 
[387/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_esp.f.o -c ../src/esp.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/esp.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/esp.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/esp.f:387:72:
  387 |       if(dabs(dd(i))-1.d-8) 61,61,41
      |                                                                        1
Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1)
../src/esp.f:404:17:
  404 |       integer i,j,k,nbin,bin(10)
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/esp.f:317:17:
  317 |       dimension d(3),dd(84),ddd(35)
      |                 1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/esp.f:259:46:
  259 |       real*8  xyza(3),xyzb(3),rab,est,gama,arg,cc
      |                                              1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/esp.f:257:21:
  257 |       integer i,j,k,l,iprimcount,jprimcount
      |                     1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/esp.f:258:45:
  258 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                             1
Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable]
../src/esp.f:258:48:
  258 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                1
Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable]
../src/esp.f:258:40:
  258 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                        1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/esp.f:258:42:
  258 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/esp.f:258:51:
  258 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                   1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/esp.f:258:54:
  258 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                      1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/esp.f:197:45:
  197 |       real*8  xyza(3),xyzb(3),rab,est,gam,arg
      |                                             1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/esp.f:197:37:
  197 |       real*8  xyza(3),xyzb(3),rab,est,gam,arg
      |                                     1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/esp.f:197:41:
  197 |       real*8  xyza(3),xyzb(3),rab,est,gam,arg
      |                                         1
Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable]
../src/esp.f:181:41:
  181 |       subroutine espints(n,nbf,xyz,intcut,point,pthr,P,
      |                                         1
Warning: Unused dummy argument ‘intcut’ at (1) [-Wunused-dummy-argument]
../src/esp.f:195:21:
  195 |       integer i,j,k,l,iprimcount,jprimcount,ppp
      |                     1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/esp.f:196:45:
  196 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                             1
Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable]
../src/esp.f:196:48:
  196 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                1
Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable]
../src/esp.f:196:40:
  196 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                        1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/esp.f:196:42:
  196 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/esp.f:196:51:
  196 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                   1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/esp.f:196:54:
  196 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                      1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/esp.f:197:33:
  197 |       real*8  xyza(3),xyzb(3),rab,est,gam,arg
      |                                 1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/esp.f:198:25:
  198 |       real*8  tt1,ttt,thr,cce,pthr2
      |                         1
Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable]
[388/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_extern_mopac.f90.o -c ../src/extern/mopac.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/extern/mopac.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/extern/mopac.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/extern/mopac.f90:164:27:
  164 |    real(wp) :: dum(10),edum
      |                           1
Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable]
../src/extern/mopac.f90:43:15:
   43 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
[389/541] true
[390/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_xyz.f90.o -c ../src/io/reader/xyz.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/xyz.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/xyz.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/xyz.f90:48:42:
   48 |    character(len=:),allocatable :: message
      |                                          1
Warning: Unused variable ‘message’ declared at (1) [-Wunused-variable]
[391/541] true
[392/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_extern_orca.f90.o -c ../src/extern/orca.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/extern/orca.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/extern/orca.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/extern/orca.f90:169:39:
  169 |    character(len=:),allocatable :: line
      |                                       1
Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable]
../src/extern/orca.f90:45:28:
   45 |    character(len=5) :: chdum
      |                            1
Warning: Unused variable ‘chdum’ declared at (1) [-Wunused-variable]
[393/541] true
[394/541] true
[395/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_turbomole.f90.o -c ../src/io/reader/turbomole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/turbomole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/turbomole.f90: In function ‘__xtb_io_reader_turbomole_MOD_readmoleculecoord’:
../src/io/reader/turbomole.f90:193:10: warning: ‘cell_vectors’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  193 |       if (cell_vectors /= periodic) then
      |          ^
../src/io/reader/turbomole.f90:114: warning: ‘.lattice_string’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  114 |             lattice_string = ''
      | 
[396/541] true
[397/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_filetools.F90.o -c ../src/filetools.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
../src/filetools.F90:87:20:
   87 |    logical :: opened
      |                    1
Warning: Unused variable ‘opened’ declared at (1) [-Wunused-variable]
[398/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader.f90.o -c ../src/io/reader.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[399/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_embedding.f90.o -c ../src/embedding.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/embedding.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/embedding.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/embedding.f90:269:17:
  269 |    integer :: i,j
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/embedding.f90:66:30:
   66 | subroutine read_pcem(iunit,env,pcem,jData)
      |                              1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
[400/541] true
[401/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_metadynamic.f90.o -c ../src/metadynamic.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/metadynamic.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/metadynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/metadynamic.f90:113:41:
  113 | subroutine set_metadynamic(metavar,nat,at,xyz)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/metadynamic.f90:91:46:
   91 | subroutine load_metadynamic(metavar,nat,at,xyz)
      |                                              1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/metadynamic.f90:21:37:
   21 | subroutine metadynamic(metavar,nat,at,xyz,ebias,g)
      |                                     1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/metadynamic.f90:36:18:
   36 |    integer  :: i,j,k,iref,iat
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/metadynamic.f90:36:20:
   36 |    integer  :: i,j,k,iref,iat
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[402/541] true
[403/541] true
[404/541] true
[405/541] true
[406/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_basisset.f90.o -c ../src/xtb/basisset.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/basisset.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/basisset.f90:322:12:
  322 |    integer i,j,k,l
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:322:14:
  322 |    integer i,j,k,l
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:322:16:
  322 |    integer i,j,k,l
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:322:18:
  322 |    integer i,j,k,l
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:40:19:
   40 |    integer  :: elem,valao
      |                   1
Warning: Unused variable ‘elem’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:41:16:
   41 |    integer  :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:34:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                  1
Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:37:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                     1
Warning: Unused variable ‘k2’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:41:78:
   41 |    integer  :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn
      |                                                                              1
Warning: Unused variable ‘npqr’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:47:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                               1
Warning: Unused variable ‘pp’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:41:82:
   41 |    integer  :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn
      |                                                                                  1
Warning: Unused variable ‘pqn’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:61:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                                             1
Warning: Unused variable ‘qi’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:44:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                            1
Warning: Unused variable ‘split1’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:58:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                                          1
Warning: Unused variable ‘zcnfr’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:52:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                                    1
Warning: Unused variable ‘zqfr’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:407:0:
  407 | subroutine set_s_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao)
      | 
Warning: ‘set_s_function’ defined but not used [-Wunused-function]
../src/xtb/basisset.f90:450:0:
  450 | subroutine set_p_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao)
      | 
Warning: ‘set_p_function’ defined but not used [-Wunused-function]
[407/541] true
[408/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_spline2.f90.o -c ../src/spline2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/spline2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/spline2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[409/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_spline3.f90.o -c ../src/spline3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/spline3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/spline3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/spline3.f90:151:27:
  151 |   integer ( kind = 4 ) info
      |                           1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
[410/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_read_gfn_param.f90.o -c ../src/read_gfn_param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/read_gfn_param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/read_gfn_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/read_gfn_param.f90:30:44:
   30 |       (env, iunit,globpar,xtbData,initialize)
      |                                            1
Warning: Unused dummy argument ‘initialize’ at (1) [-Wunused-dummy-argument]
[411/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_scc_core.f90.o -c ../src/scc_core.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/scc_core.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/scc_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scc_core.f90:798:8:
  798 |    H4 = H
      |        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/scc_core.f90:799:8:
  799 |    S4 = S
      |        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/scc_core.f90:1406:23:
 1406 |    real(wp)  ntot,fracz
      |                       1
Warning: Unused variable ‘fracz’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1394:59:
 1394 | subroutine setzshell(xtbData,n,at,nshell,z,zsh,e,gfn_method)
      |                                                           1
Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1407:41:
 1407 |    integer i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                         1
Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1407:14:
 1407 |    integer i,j,k,m,l,ll(0:3),iat,lll,iver
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1407:36:
 1407 |    integer i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                    1
Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1360:59:
 1360 | subroutine iniqshell(xtbData,n,at,z,nshell,q,qsh,gfn_method)
      |                                                           1
Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1371:45:
 1371 |    integer  :: i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                             1
Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1371:18:
 1371 |    integer  :: i,j,k,m,l,ll(0:3),iat,lll,iver
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1371:40:
 1371 |    integer  :: i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                        1
Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1341:17:
 1341 |    integer i,j,ii,jj,js,mmm(20)
      |                 1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1299:23:
 1299 |    integer i,j,ii,jj,ij
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1293:19:
 1293 | subroutine mpopsh(n,nao,nshell,ao2sh,S,P,qsh)
      |                   1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1267:23:
 1267 |    integer i,j,ii,jj,ij,is,js,mmm(20)
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1237:19:
 1237 | subroutine mpopao(n,nao,S,P,qao)
      |                   1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1218:23:
 1218 |    integer i,j,ii,jj,ij,is,js
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1218:26:
 1218 |    integer i,j,ii,jj,ij,is,js
      |                          1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1218:29:
 1218 |    integer i,j,ii,jj,ij,is,js
      |                             1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1189:23:
 1189 |    integer i,j,ii,jj,ij,is,js
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1189:26:
 1189 |    integer i,j,ii,jj,ij,is,js
      |                          1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1189:29:
 1189 |    integer i,j,ii,jj,ij,is,js
      |                             1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1147:31:
 1147 | subroutine get_wiberg(n,ndim,at,xyz,P,S,wb,fila2)
      |                               1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:967:31:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                               1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:34:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                                  1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:24:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:28:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                            1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:26:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:871:36:
  871 | subroutine solve(full,ndim,ihomo,acc,H,S,X,P,e,fail)
      |                                    1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:883:12:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:42:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                          1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:14:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:46:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                              1
Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:39:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                       1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:20:
  886 |    real(wp) w0,w1,t0,t1
      |                    1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:23:
  886 |    real(wp) w0,w1,t0,t1
      |                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:14:
  886 |    real(wp) w0,w1,t0,t1
      |              1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:17:
  886 |    real(wp) w0,w1,t0,t1
      |                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:769:37:
  769 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail)
      |                                     1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:784:35:
  784 |    real(wp),allocatable :: aux  (:)
      |                                   1
Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:12:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:769:33:
  769 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail)
      |                                 1
Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:782:42:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                          1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:14:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:46:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                              1
Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:39:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                       1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:20:
  785 |    real(wp) w0,w1,t0,t1
      |                    1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:23:
  785 |    real(wp) w0,w1,t0,t1
      |                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:14:
  785 |    real(wp) w0,w1,t0,t1
      |              1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:17:
  785 |    real(wp) w0,w1,t0,t1
      |                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:702:21:
  702 |    real(wp) :: rab,k1,rr,r,rf1,rf2,dx,dy,dz,a
      |                     1
Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:654:28:
  654 | pure subroutine electro(n,at,nbf,nshell,ies,H0,P,dq,dqsh,es,scc)
      |                            1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:667:18:
  667 |    real(wp) :: ehb ! not used
      |                  1
Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:670:18:
  670 |    real(wp) :: h,t
      |                  1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:22:
  368 |    real(wp) :: eh1,dum,tgb
      |                      1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:18:
  368 |    real(wp) :: eh1,dum,tgb
      |                  1
Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:19:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                   1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:366:21:
  366 |    integer  :: ishell,jshell
      |                     1
Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:24:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                        1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:366:28:
  366 |    integer  :: ishell,jshell
      |                            1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:29:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                             1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:31:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                               1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:33:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:241:23:
  241 |       &        minpr,pr, &
      |                       1
Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:231:33:
  231 |       &        q,dipm,qp,qq,qlmom,qsh,zsh, &
      |                                 1
Warning: Unused dummy argument ‘qlmom’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:367:17:
  367 |    real(wp) :: t8,t9
      |                 1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:367:20:
  367 |    real(wp) :: t8,t9
      |                    1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:26:
  368 |    real(wp) :: eh1,dum,tgb
      |                          1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:239:35:
  239 |       &        H0,H,S,dpint,qpint,X,P,ies, &
      |                                   1
Warning: Unused dummy argument ‘x’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:229:26:
  229 | subroutine scc(env,xtbData,solver,n,nel,nopen,ndim,ndp,nqp,nmat,nshell, &
      |                          1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:151:61:
  151 |                          H,S,dpint,qpint,vs,vd,vq,aoat2,ao2sh)
      |                                                             1
Warning: Unused dummy argument ‘ao2sh’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:150:32:
  150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,&
      |                                1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:176:21:
  176 |    integer  :: ishell,jshell
      |                     1
Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:176:28:
  176 |    integer  :: ishell,jshell
      |                            1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:175:23:
  175 |    integer  :: ii,jj,kk
      |                       1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:150:44:
  150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,&
      |                                            1
Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:177:25:
  177 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                         1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:177:28:
  177 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                            1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:177:32:
  177 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                                1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:111:32:
  111 |       & H0, S, shellShift, aoat2, ao2sh)
      |                                1
Warning: Unused dummy argument ‘aoat2’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:110:33:
  110 | subroutine buildIsotropicH1(n, at, ndim, nshell, nmat, matlist, H, &
      |                                 1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:129:18:
  129 |    real(wp) :: dum
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:128:17:
  128 |    integer  :: ii,jj,kk
      |                 1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:128:20:
  128 |    integer  :: ii,jj,kk
      |                    1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:128:23:
  128 |    integer  :: ii,jj,kk
      |                       1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:130:21:
  130 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                     1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:130:24:
  130 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                        1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:130:28:
  130 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                            1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:727:0:
  727 | pure subroutine setespot(nshell, qsh, jmat, shellShift)
      | 
Warning: ‘setespot’ defined but not used [-Wunused-function]
[412/541] true
[413/541] true
[414/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_surfac.f.o -c ../src/surfac.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/surfac.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/surfac.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/surfac.f:30:51:
   30 |       real(wp)                          :: point(3),rx,ry,rz,r,r2,rsas
      |                                                   1
Warning: Unused variable ‘point’ declared at (1) [-Wunused-variable]
../src/surfac.f:30:62:
   30 |       real(wp)                          :: point(3),rx,ry,rz,r,r2,rsas
      |                                                              1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
[415/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_splitparam.f90.o -c ../src/splitparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/splitparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/splitparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/splitparam.f90:94:25:
   94 | subroutine cmafrag(nat,at,xyz,r1,r2)
      |                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/splitparam.f90:67:18:
   67 |    real(wp) :: r,f,rco
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/splitparam.f90:66:20:
   66 |    integer  :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[416/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o -c ../src/gfnff/gfnff_qm.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_qm.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_qm.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_qm.f90:22:26:
   22 | subroutine gfnffqmsolve(pr,A,S,ovlp,et,ndim,nopen,nel,eel,focc,e)
      |                          1
Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument]
[417/541] true
[418/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_grad_core.f90.o -c ../src/grad_core.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/grad_core.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/grad_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/grad_core.f90:33:41:
   33 |    integer, private, parameter :: mmm(20)=(/1,2,2,2,3,3,3,3,3,3,4,4,4,4,4,4,4,4,4,4/)
      |                                         1
Warning: Unused PRIVATE module variable ‘mmm’ declared at (1) [-Wunused-value]
../src/grad_core.f90:46:35:
   46 |    real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz
      |                                   1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:46:39:
   46 |    real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz
      |                                       1
Warning: Unused variable ‘rf1’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:46:43:
   46 |    real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz
      |                                           1
Warning: Unused variable ‘rf2’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:42:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                          1
Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:46:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                              1
Warning: Unused variable ‘t11’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:54:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                                      1
Warning: Unused variable ‘t13’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:34:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                  1
Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:50:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                                  1
Warning: Unused variable ‘t35’ declared at (1) [-Wunused-variable]
[419/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_axis_trafo.f90.o -c ../src/axis_trafo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/axis_trafo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/axis_trafo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/axis_trafo.f90:369:5:
  369 |    80       evec(j,1)=-evec(j,1)
      |     1
Warning: Label 80 at (1) defined but not used [-Wunused-label]
../src/axis_trafo.f90:305:34:
  305 |    subroutine axis3(mode,numat,nat,coord,coordout,eig)
      |                                  1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/axis_trafo.f90:206:30:
  206 |   subroutine axisvec(numat,nat,xyz,aa,bb,cc,evec)
      |                              1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/axis_trafo.f90:115:28:
  115 |   subroutine axis2(numat,nat,xyz,aa,bb,cc,avmom,sumw)
      |                            1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/axis_trafo.f90:21:27:
   21 |   subroutine axis(numat,nat,xyz,aa,bb,cc)
      |                           1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
[420/541] true
[421/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_geometry.f90.o -c ../src/main/geometry.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/geometry.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/geometry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/geometry.f90:131:16:
  131 |    integer  :: i,j,k,l,m
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:132:18:
  132 |    integer  :: iat,jat
      |                  1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:133:19:
  133 |    integer  :: imax,imin
      |                   1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:133:24:
  133 |    integer  :: imax,imin
      |                        1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:18:
  131 |    integer  :: i,j,k,l,m
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:132:22:
  132 |    integer  :: iat,jat
      |                      1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:20:
  131 |    integer  :: i,j,k,l,m
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:22:
  131 |    integer  :: i,j,k,l,m
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:24:
  131 |    integer  :: i,j,k,l,m
      |                        1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:149:25:
  149 |    real(wp) :: moments(3)
      |                         1
Warning: Unused variable ‘moments’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:323:18:
  323 |    integer :: imax,imin
      |                  1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:323:23:
  323 |    integer :: imax,imin
      |                       1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:462:29:
  462 | subroutine calc_torsions(n,at,xyz,bond,maxtrsn,ntrsn,trsn,it)
      |                             1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/geometry.f90:290:18:
  290 |    integer :: imax,imin
      |                  1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:290:23:
  290 |    integer :: imax,imin
      |                       1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:419:27:
  419 | subroutine calc_angles(n,at,xyz,bond,maxbend,nbend,bend,ib)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
[422/541] true
[423/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_geosum.f90.o -c ../src/geosum.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/geosum.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/geosum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/geosum.f90:34:22:
   34 |    integer nm,ij,m,iat,jat, nsel
      |                      1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/geosum.f90:34:16:
   34 |    integer nm,ij,m,iat,jat, nsel
      |                1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/geosum.f90:33:28:
   33 |    integer i, j, nn, k, imin, jmin, iat1, iat2
      |                            1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/geosum.f90:35:26:
   35 |    integer nt,a,b,ia,ib,ja,jb,ii,jj,lin,linij
      |                          1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/geosum.f90:34:26:
   34 |    integer nm,ij,m,iat,jat, nsel
      |                          1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/geosum.f90:33:34:
   33 |    integer i, j, nn, k, imin, jmin, iat1, iat2
      |                                  1
Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable]
../src/geosum.f90:34:13:
   34 |    integer nm,ij,m,iat,jat, nsel
      |             1
Warning: Unused variable ‘nm’ declared at (1) [-Wunused-variable]
../src/geosum.f90:31:20:
   31 |    real*8 brad,r,xxx,yyy,zzz,avv
      |                    1
Warning: Unused variable ‘xxx’ declared at (1) [-Wunused-variable]
../src/geosum.f90:31:24:
   31 |    real*8 brad,r,xxx,yyy,zzz,avv
      |                        1
Warning: Unused variable ‘yyy’ declared at (1) [-Wunused-variable]
../src/geosum.f90:31:28:
   31 |    real*8 brad,r,xxx,yyy,zzz,avv
      |                            1
Warning: Unused variable ‘zzz’ declared at (1) [-Wunused-variable]
[424/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_intmodes.f90.o -c ../src/intmodes.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/intmodes.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/intmodes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/intmodes.f90:897:26:
  897 | pure subroutine cma(nat,at,xyz,sum3)
      |                          1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:275:18:
  275 |    integer  :: i,j,k,m,nm,ntot,mm
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:275:33:
  275 |    integer  :: i,j,k,m,nm,ntot,mm
      |                                 1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:264:33:
  264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,&
      |                                 1
Warning: Unused dummy argument ‘molvec’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:264:40:
  264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,&
      |                                        1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:276:16:
  276 |    real(wp) :: r,sum3(3),one
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:106:21:
  106 | subroutine bzmat(n,at,xyzin,bmat)
      |                     1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:117:23:
  117 |    integer :: i,k,n3,ia,ii,ic,n36,j,kl
      |                       1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:117:29:
  117 |    integer :: i,k,n3,ia,ii,ic,n36,j,kl
      |                             1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:117:26:
  117 |    integer :: i,k,n3,ia,ii,ic,n36,j,kl
      |                          1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:37:28:
   37 |    integer k,j,kl,l,lend,n36
      |                            1
Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:36:16:
   36 |    real(wp) norm
      |                1
Warning: Unused variable ‘norm’ declared at (1) [-Wunused-variable]
../src/intmodes.f90: In function ‘__xtb_intmodes_MOD_xyzint’:
../src/intmodes.f90:606: warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  606 |       if(i.gt.2)nb(i)=na(k)
      | 
[425/541] true
[426/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_local.f90.o -c ../src/local.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/local.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/local.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/local.f90:291:19:
  291 |       rklmo(1:3,i)=ecent(i,1:3)
      |                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:292:19:
  292 |       rklmo(  4,i)=ecent(i,  4)
      |                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:293:19:
  293 |       rklmo(  5,i)=real(jdum)
      |                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:454:28:
  454 |             rklmo(1:3,n+k)= dtot(1:3)
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:469:28:
  469 |             rklmo(1:3,n+k)= dtot(1:3)
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:807:12:
  807 |    integer i,j
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/local.f90:807:14:
  807 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/local.f90:68:29:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                             1
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/local.f90:69:28:
   69 |    character(len=80) :: atmp
      |                            1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/local.f90:68:32:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                                1
Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable]
../src/local.f90:68:35:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                                   1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/local.f90:66:25:
   66 |    real(wp) :: dd,dum,det,pp,dtot(3),diptot,thr,t0,w0,t1,w1,vec1(3),v(6)
      |                         1
Warning: Unused variable ‘det’ declared at (1) [-Wunused-variable]
../src/local.f90:20:72:
   20 | subroutine local(nat,at,nbf,nao,ihomo,xyz,z,focc,s,p,cmo,eig,q,etot,gbsa,basis)
      |                                                                        1
Warning: Unused dummy argument ‘gbsa’ at (1) [-Wunused-dummy-argument]
../src/local.f90:62:47:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                               1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/local.f90:62:29:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                             1
Warning: Unused variable ‘imo1’ declared at (1) [-Wunused-variable]
../src/local.f90:62:34:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                  1
Warning: Unused variable ‘imo2’ declared at (1) [-Wunused-variable]
../src/local.f90:57:33:
   57 |    integer, allocatable :: ind(:)
      |                                 1
Warning: Unused variable ‘ind’ declared at (1) [-Wunused-variable]
../src/local.f90:73:34:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                                  1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/local.f90:61:46:
   61 |    integer mo,n,i,j,k,ii,jj,imem(nat),idum,isc,iso,nop,pilist(ihomo)
      |                                              1
Warning: Unused variable ‘isc’ declared at (1) [-Wunused-variable]
../src/local.f90:61:50:
   61 |    integer mo,n,i,j,k,ii,jj,imem(nat),idum,isc,iso,nop,pilist(ihomo)
      |                                                  1
Warning: Unused variable ‘iso’ declared at (1) [-Wunused-variable]
../src/local.f90:62:39:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                       1
Warning: Unused variable ‘iso1’ declared at (1) [-Wunused-variable]
../src/local.f90:62:44:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                            1
Warning: Unused variable ‘iso2’ declared at (1) [-Wunused-variable]
../src/local.f90:73:22:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                      1
Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable]
../src/local.f90:62:17:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                 1
Warning: Unused variable ‘lamdu1’ declared at (1) [-Wunused-variable]
../src/local.f90:62:24:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                        1
Warning: Unused variable ‘lamdu2’ declared at (1) [-Wunused-variable]
../src/local.f90:73:29:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                             1
Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable]
../src/local.f90:73:16:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                1
Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable]
../src/local.f90:64:43:
   64 |    integer i1,i2,i3,is3,ipi,piset(nat),ncyc,j1,j2,smo,pmo,nl,nm,nr
      |                                           1
Warning: Unused variable ‘ncyc’ declared at (1) [-Wunused-variable]
../src/local.f90:41:36:
   41 |    real(wp),allocatable :: oc(:,:,:)
      |                                    1
Warning: Unused variable ‘oc’ declared at (1) [-Wunused-variable]
../src/local.f90:68:26:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                          1
Warning: Unused variable ‘praxis’ declared at (1) [-Wunused-variable]
../src/local.f90:44:36:
   44 |    real(wp),allocatable :: qua (:,:)
      |                                    1
Warning: Unused variable ‘qua’ declared at (1) [-Wunused-variable]
../src/local.f90:67:51:
   67 |    real(wp) :: elumo,ehomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3)
      |                                                   1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/local.f90:67:54:
   67 |    real(wp) :: elumo,ehomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3)
      |                                                      1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/local.f90:53:32:
   53 |    real(wp),allocatable :: rr(:)
      |                                1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/local.f90:66:72:
   66 |    real(wp) :: dd,dum,det,pp,dtot(3),diptot,thr,t0,w0,t1,w1,vec1(3),v(6)
      |                                                                        1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/local.f90:55:38:
   55 |    real(wp),allocatable :: xyztmp(:,:)
      |                                      1
Warning: Unused variable ‘xyztmp’ declared at (1) [-Wunused-variable]
[427/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_constr.f90.o -c ../src/constr.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/constr.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/constr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/constr.f90:174:13:
  174 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |             1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/constr.f90:174:60:
  174 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                                                            1
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/constr.f90:173:66:
  173 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                                  1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/constr.f90:495:42:
  495 |       &         sinphi,cosphi,onenner,thab,thbc,&
      |                                          1
Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable]
../src/constr.f90:495:47:
  495 |       &         sinphi,cosphi,onenner,thab,thbc,&
      |                                               1
Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable]
../src/constr.f90:500:52:
  500 |       &         xyz(3,nat),phi,vecnorm,nenner,eps,vz
      |                                                    1
Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable]
../src/constr.f90:653:15:
  653 |       &     rab,rbc,thab,thbc,valijk,&
      |               1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/constr.f90:653:19:
  653 |       &     rab,rbc,thab,thbc,valijk,&
      |                   1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/constr.f90:654:31:
  654 |       &     vecnorm,nan,nbn,rcn,snanb,deter,pi,test,&
      |                               1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
../src/constr.f90:87:26:
   87 |    real(wp) phi,valijkl,a1,a2
      |                          1
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/constr.f90:87:29:
   87 |    real(wp) phi,valijkl,a1,a2
      |                             1
Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable]
../src/constr.f90:87:23:
   87 |    real(wp) phi,valijkl,a1,a2
      |                       1
Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable]
../src/constr.f90:777:27:
  777 |       &        vecnorm,rkjn,rljn,rnn,rvn
      |                           1
Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable]
../src/constr.f90:777:32:
  777 |       &        vecnorm,rkjn,rljn,rnn,rvn
      |                                1
Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable]
[428/541] true
[429/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_pocketscan.f90.o -c ../src/pocketscan.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/pocketscan.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/pocketscan.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/pocketscan.f90:120:30:
  120 | subroutine pocketrotation(n,at,xyz,cma,trfm,ifrag,npath,xyzpath)
      |                              1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/pocketscan.f90:243:16:
  243 |    integer i,j,k
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/pocketscan.f90:234:30:
  234 | subroutine ifaceaxis(numat,nat,coord,cma1,trfm1,cma2,trfm2)
      |                              1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/pocketscan.f90:32:20:
   32 |    character*2 dummy
      |                    1
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
../src/pocketscan.f90:28:22:
   28 |    integer n,at(n),i,j,k,ios,ierr,npath,nout
      |                      1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/pocketscan.f90: In function ‘pocketrotation_’:
../src/pocketscan.f90:150: warning: ‘__var_1_mmb.offset’ is used uninitialized in this function [-Wuninitialized]
  150 |    turncrd0=matmul(trfm,turncrd0)
      | 
../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[430/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_dynamic.f90.o -c ../src/dynamic.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/dynamic.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/dynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/dynamic.f90:877:0:
  877 | integer function irand(n)
      | 
Warning: ‘irand’ declared at (1) may shadow the intrinsic of the same name.  In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow]
../src/dynamic.f90:787:3:
  787 |  20   call ekinet(n,velo,mass,edum)
      |   1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/dynamic.f90:881:9:
  881 |    irand=n*x
      |         1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:247:10:
  247 |    cdump0=dump_md/tstep_md    ! scoord
      |          1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:248:12:
  248 |    dumpstep=dump_md2/tstep_md ! xyz
      |            1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:271:8:
  271 |    nmax=tmax*1000/tstep0
      |        1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:272:24:
  272 |    if(gmd.or.equi) nmax=maxtime*1000/tstep0
      |                        1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:879:14:
  879 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:844:35:
  844 |    integer, allocatable :: iseed(:)
      |                                   1
Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:843:14:
  843 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:840:14:
  840 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:817:40:
  817 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:769:23:
  769 |       integer iat(n),nh,i,j
      |                       1
Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:714:26:
  714 |       subroutine blocksd(n,nbl,ebl,tbl,esd,tsd)
      |                          1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/dynamic.f90:180:38:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                      1
Warning: Unused variable ‘b0’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:180:32:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                1
Warning: Unused variable ‘be’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:177:47:
  177 |    real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2
      |                                               1
Warning: Unused variable ‘cma’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:177:40:
  177 |    real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2
      |                                        1
Warning: Unused variable ‘dav’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:180:49:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                                 1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:178:18:
  178 |    real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:175:24:
  175 |    real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr
      |                        1
Warning: Unused variable ‘eel1’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:181:17:
  181 |    logical  :: ex,thermostat,restart,confdump,equi,gmd,ldum
      |                 1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:201:19:
  201 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:199:40:
  199 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:28:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                            1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:58:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                                          1
Warning: Unused variable ‘ibin’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:22:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                      1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:34:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                  1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:31:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                               1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:25:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                         1
Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:37:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                     1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:181:59:
  181 |    logical  :: ex,thermostat,restart,confdump,equi,gmd,ldum
      |                                                           1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:42:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                          1
Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:175:19:
  175 |    real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr
      |                   1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:192:36:
  192 |    real(wp),allocatable :: tmpx(:,:)
      |                                    1
Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:180:42:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                          1
Warning: Unused variable ‘tor’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:178:37:
  178 |    real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime
      |                                     1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/dynamic.f90: In function ‘__xtb_dynamic_MOD_md’:
../src/dynamic.f90:196:40: warning: ‘intgeoav.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  196 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                        ^
../src/dynamic.f90:196:40: warning: ‘intgeoav.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
../src/dynamic.f90:617: warning: ‘intgeo.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  617 |             if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes
      | 
../src/dynamic.f90:617: warning: ‘intgeo.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized]
../src/dynamic.f90:633: warning: ‘intgeo.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  633 |          intgeoav = intgeoav + intgeo-intgeo0
      | 
../src/dynamic.f90:633: warning: ‘intgeo.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  633 |          intgeoav = intgeoav + intgeo-intgeo0
      | 
../src/dynamic.f90:196:50: warning: ‘tmpg.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  196 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                                  ^
../src/dynamic.f90:613: warning: ‘tmpg.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  613 |          tmpg=mol%xyz/aatoau
      | 
../src/dynamic.f90:196:50: warning: ‘tmpg.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  196 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                                  ^
../src/dynamic.f90:613: warning: ‘tmpg.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  613 |          tmpg=mol%xyz/aatoau
      | 
[431/541] true
[432/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o -c ../src/gfnff/gfnff_ini.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_ini.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_ini.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_ini.f90:396:24:
  396 |            rabd(k, i) = param%rad(mol%at(i)) + param%rad(mol%at(k))
      |                        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_ini.f90:55:33:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                                 1
Warning: Unused variable ‘aat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:29:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                             1
Warning: Unused variable ‘atb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:99:29:
   99 |       character(len=255) atmp
      |                             1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:25:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                         1
Warning: Unused variable ‘bat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:76:45:
   76 |       logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known
      |                                             1
Warning: Unused variable ‘cnij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:37:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                                     1
Warning: Unused variable ‘current’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:65:39:
   65 |       real(wp) shift,dum,dum1,dum2,dum4,qafac,fqq,feta
      |                                       1
Warning: Unused variable ‘dum4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:76:40:
   76 |       logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known
      |                                        1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:37:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                                     1
Warning: Unused variable ‘hat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:17:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                 1
Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:21:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                     1
Warning: Unused variable ‘hbh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:76:19:
   76 |       logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known
      |                   1
Warning: Unused variable ‘heavy’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:77:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                                             1
Warning: Unused variable ‘jdum’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:69:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                                     1
Warning: Unused variable ‘ka’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:25:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                         1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:49:33:
   49 |       integer ati,atj,atk,i,j,k,l,lin,nn,ii,jj,kk,ll,m,rings,ia,ja,ij,ix,nnn,idum,ip,ji,no
      |                                 1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:22:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                      1
Warning: Unused variable ‘maxhb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:29:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                             1
Warning: Unused variable ‘n13’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:48:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                1
Warning: Unused variable ‘nn1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:52:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                    1
Warning: Unused variable ‘nn2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:71:24:
   71 |       real(wp) fkl,qreps,fbsmall,bohr
      |                        1
Warning: Unused variable ‘qreps’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:44:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                            1
Warning: Unused variable ‘ringtyp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:75:60:
   75 |       logical lring,picon,notpicon,bridge,sp3ij,ccij,success
      |                                                            1
Warning: Unused variable ‘success’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:70:21:
   70 |       real(wp) xx(20)
      |                     1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90: In function ‘__xtb_gfnff_ini_MOD_gfnff_ini’:
../src/gfnff/gfnff_ini.f90:540: warning: ‘ifrag’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  540 |             dum2=topo%qfrag(ifrag) ! save
      | 
[433/541] true
[434/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_sphereparam.f90.o -c ../src/sphereparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/sphereparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/sphereparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/sphereparam.f90:655:24:
  655 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz
      |                        1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:655:35:
  655 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz
      |                                   1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:655:38:
  655 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz
      |                                      1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:606:24:
  606 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1
      |                        1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:606:38:
  606 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1
      |                                      1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:512:39:
  512 | subroutine polynomial_cavity_all(nat,at,xyz,alpha,center,radius,&
      |                                       1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:478:40:
  478 | subroutine polynomial_cavity_frag(nat,at,xyz,fragment,alpha,center,radius,&
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:444:40:
  444 | subroutine polynomial_cavity_list(nat,at,xyz,nlist,list,alpha,center,radius,&
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:410:37:
  410 | subroutine logfermi_cavity_all(nat,at,xyz,temp,alpha,center,radius,&
      |                                     1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:374:38:
  374 | subroutine logfermi_cavity_frag(nat,at,xyz,fragment,temp,alpha,center,radius,&
      |                                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:338:38:
  338 | subroutine logfermi_cavity_list(nat,at,xyz,nlist,list,temp,alpha,center,radius,&
      |                                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:154:28:
  154 | subroutine getsphererad(n,at,xyz)
      |                            1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:160:21:
  160 |    real(wp) :: dum(3),rx,ry,rz
      |                     1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:22:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:16:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                1
Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:18:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                  1
Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:20:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                    1
Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable]
[435/541] true
[436/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_stm.f.o -c ../src/stm.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/stm.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/stm.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/stm.f:226:46:
  226 |       real(wp) xyza(3),xyzb(3),rab,est,gam,arg
      |                                              1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/stm.f:226:38:
  226 |       real(wp) xyza(3),xyzb(3),rab,est,gam,arg
      |                                      1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/stm.f:226:42:
  226 |       real(wp) xyza(3),xyzb(3),rab,est,gam,arg
      |                                          1
Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable]
../src/stm.f:207:42:
  207 |       subroutine densints(n,nbf,xyz,intcut,point,pthr,P,
      |                                          1
Warning: Unused dummy argument ‘intcut’ at (1) [-Wunused-dummy-argument]
../src/stm.f:224:21:
  224 |       integer i,j,k,l,iprimcount,jprimcount,ppp
      |                     1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/stm.f:225:45:
  225 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                             1
Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable]
../src/stm.f:225:48:
  225 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                1
Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable]
../src/stm.f:225:40:
  225 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                        1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/stm.f:225:42:
  225 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/stm.f:225:51:
  225 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                   1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/stm.f:225:54:
  225 |       integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                                      1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/stm.f:227:26:
  227 |       real(wp) tt1,ttt,thr,cce,pthr2
      |                          1
Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable]
../src/stm.f:25:36:
   25 |       subroutine stmpic(n,nmo,nbf,at,xyz,C,efermi,emo,basis)
      |                                    1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/stm.f:40:61:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                                                             1
Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable]
../src/stm.f:46:28:
   46 |       integer i,j,k,l,m,done,mprim,npp,ind1,ind2,np,m1,m2,m3
      |                            1
Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable]
../src/stm.f:40:26:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                          1
Warning: Unused variable ‘rx’ declared at (1) [-Wunused-variable]
../src/stm.f:40:29:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                             1
Warning: Unused variable ‘ry’ declared at (1) [-Wunused-variable]
../src/stm.f:40:32:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                                1
Warning: Unused variable ‘rz’ declared at (1) [-Wunused-variable]
../src/stm.f:40:44:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                                            1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/stm.f:40:47:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                                               1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/stm.f:40:50:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                                                  1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/stm.f:40:53:
   40 |       real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp
      |                                                     1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
[437/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_hamiltonian.f90.o -c ../src/xtb/hamiltonian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/hamiltonian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/hamiltonian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/hamiltonian.f90:610:49:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                 1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:61:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:35:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:43:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:611:14:
  611 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:611:17:
  611 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:14:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:38:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:41:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:35:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:44:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:18:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:29:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:20:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:47:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:50:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:32:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:564:16:
  564 |       & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, &
      |                1
Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:564:21:
  564 |       & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, &
      |                     1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:612:47:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:57:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:48:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:18:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:21:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:37:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:44:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:612:25:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:612:34:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:612:43:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:30:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:57:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:53:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:48:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:15:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:22:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:31:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:37:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:43:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:27:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:30:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:33:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:36:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:16:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:21:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:26:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:24:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:49:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                 1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:61:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:35:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:43:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:406:14:
  406 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:406:17:
  406 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:53:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                                     1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:14:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:38:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:41:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:35:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:44:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:18:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:29:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:20:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:47:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:50:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:32:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:361:75:
  361 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, &
      |                                                                           1
Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:361:80:
  361 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, &
      |                                                                                1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:407:47:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:57:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:48:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:18:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:21:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:37:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:44:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:407:25:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:407:34:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:407:43:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:30:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:57:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:53:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:48:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:15:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:22:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:31:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:37:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:43:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:27:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:30:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:33:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:36:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:16:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:21:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:26:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:24:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:49:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                 1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:52:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                    1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:190:19:
  190 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:14:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:17:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:20:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:43:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:189:27:
  189 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                           1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:189:30:
  189 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                              1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:14:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:38:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:41:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:35:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:44:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:18:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:29:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:20:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:47:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:50:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:32:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:146:50:
  146 | subroutine build_SDQH0(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, &
      |                                                  1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:190:27:
  190 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:18:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:21:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:34:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:30:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:25:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:15:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:36:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:42:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:27:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:30:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:33:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:36:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:41:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                         1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:26:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:31:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:24:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90: In function ‘__xtb_xtb_hamiltonian_MOD_build_dsdqh0_noreset._omp_fn.0’:
../src/xtb/hamiltonian.f90:710: warning: ‘stmp’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  710 |                         g_xyz(ixyz) = g_xyz(ixyz)+stmp+dtmp+qtmp
      | 
../src/xtb/hamiltonian.f90:612:16: note: ‘stmp’ was declared here
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                ^
[438/541] true
[439/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o -c ../src/gfnff/gfnff_setup.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_setup.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_setup.f90: In function ‘__xtb_gfnff_setup_MOD_gfnff_input’:
../src/gfnff/gfnff_setup.f90:191: warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  191 |         topo%nb(1,i)=k
      | 
[440/541] true
[441/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_dummycalc.f90.o -c ../src/type/dummycalc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/dummycalc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/dummycalc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/dummycalc.f90:191:36:
  191 | subroutine writeInfo(self, unit, mol)
      |                                    1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/type/dummycalc.f90:191:25:
  191 | subroutine writeInfo(self, unit, mol)
      |                         1
Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument]
../src/type/dummycalc.f90:109:19:
  109 |    integer :: i,ich
      |                   1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/type/dummycalc.f90:113:19:
  113 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/type/dummycalc.f90:110:25:
  110 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
../src/type/dummycalc.f90:70:63:
   70 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, &
      |                                                               1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
[442/541] true
[443/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_calculator.f90.o -c ../src/gfnff/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/calculator.f90:230:36:
  230 | subroutine writeInfo(self, unit, mol)
      |                                    1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:206:52:
  206 | subroutine print_gfnff_results(iunit,res_gff,verbose,lsolv)
      |                                                    1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:79:42:
   79 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, &
      |                                          1
Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:119:19:
  119 |    integer :: i,ich
      |                   1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:122:19:
  122 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:120:25:
  120 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:79:63:
   79 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, &
      |                                                               1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
[444/541] true
[445/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_constrain_param.f90.o -c ../src/constrain_param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/constrain_param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/constrain_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/constrain_param.f90:1404:19:
 1404 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1402:18:
 1402 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1403:19:
 1403 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1405:19:
 1405 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1358:40:
 1358 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz)
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1370:19:
 1370 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1373:16:
 1373 |    integer  :: i,j
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1358:46:
 1358 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz)
      |                                              1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1373:18:
 1373 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1371:19:
 1371 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1372:24:
 1372 |    integer  :: list(nat),nlist
      |                        1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1372:30:
 1372 |    integer  :: list(nat),nlist
      |                              1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1358:50:
 1358 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz)
      |                                                  1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1281:41:
 1281 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1281:47:
 1281 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz)
      |                                               1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1298:19:
 1298 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1299:20:
 1299 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1281:51:
 1281 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz)
      |                                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1234:38:
 1234 | subroutine set_path(env,key,val,nat,at,idMap,xyz)
      |                                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1250:19:
 1250 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1254:16:
 1254 |    integer  :: i,j
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1234:44:
 1234 | subroutine set_path(env,key,val,nat,at,idMap,xyz)
      |                                            1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1254:18:
 1254 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1251:19:
 1251 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1252:20:
 1252 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1234:48:
 1234 | subroutine set_path(env,key,val,nat,at,idMap,xyz)
      |                                                1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1187:41:
 1187 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1203:19:
 1203 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1207:16:
 1207 |    integer  :: i,j
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1187:47:
 1187 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz)
      |                                               1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1207:18:
 1207 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1204:19:
 1204 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1205:20:
 1205 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1187:51:
 1187 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz)
      |                                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1116:19:
 1116 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1118:34:
 1118 |    integer, allocatable :: list(:)
      |                                  1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1102:48:
 1102 | subroutine set_hess(env,key,val,nat,at,idMap,xyz)
      |                                                1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1024:39:
 1024 | subroutine set_split(env,key,val,nat,at,idMap,xyz)
      |                                       1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1037:19:
 1037 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1024:45:
 1024 | subroutine set_split(env,key,val,nat,at,idMap,xyz)
      |                                             1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1038:19:
 1038 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1024:49:
 1024 | subroutine set_split(env,key,val,nat,at,idMap,xyz)
      |                                                 1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:900:29:
  900 |    real(wp) :: ddum,darray(3)
      |                             1
Warning: Unused variable ‘darray’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:886:44:
  886 | subroutine set_wall(env,key,val,nat,at,idMap,xyz)
      |                                            1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:901:19:
  901 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:797:19:
  797 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:404:20:
  404 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:289:19:
  289 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:284:16:
  284 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:287:20:
  287 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:268:47:
  268 | subroutine set_fix(env,key,val,nat,at,idMap,xyz)
      |                                               1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:121:19:
  121 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:116:15:
  116 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:118:16:
  118 |    integer :: ic
      |                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:119:16:
  119 |    integer :: ie
      |                1
Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:112:38:
  112 |    character(len=:),allocatable :: key
      |                                      1
Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:114:42:
  114 |    character(len=:),allocatable :: newname
      |                                          1
Warning: Unused variable ‘newname’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:113:38:
  113 |    character(len=:),allocatable :: val
      |                                      1
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
[446/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_scf_module.f90.o -c ../src/scf_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/scf_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/scf_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scf_module.f90:63:36:
   63 |    integer, parameter :: metal(1:86) = [&
      |                                    1
Warning: Unused PRIVATE module variable ‘metal’ declared at (1) [-Wunused-value]
../src/scf_module.f90:179:37:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                     1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:199:29:
  199 |    character(len=128) :: atmp,ftmp
      |                             1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:161:34:
  161 |    real(wp),allocatable :: aw(:,:)
      |                                  1
Warning: Unused variable ‘aw’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:162:36:
  162 |    real(wp),allocatable :: c6ab(:,:)
      |                                    1
Warning: Unused variable ‘c6ab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:48:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                1
Warning: Unused variable ‘drfdxyz’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:37:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                     1
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:43:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                           1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:46:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                              1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:49:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                                 1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:18:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                  1
Warning: Unused variable ‘efa’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:22:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                      1
Warning: Unused variable ‘efb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:177:48:
  177 |    real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix
      |                                                1
Warning: Unused variable ‘efix’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:23:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                       1
Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:48:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                1
Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:32:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                1
Warning: Unused variable ‘eold’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:186:20:
  186 |    real(wp) :: esave,eel
      |                    1
Warning: Unused variable ‘esave’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:200:16:
  200 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:43:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                                           1
Warning: Unused variable ‘exc’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:53:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                                     1
Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:199:34:
  199 |    character(len=128) :: atmp,ftmp
      |                                  1
Warning: Unused variable ‘ftmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:200:34:
  200 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                                  1
Warning: Unused variable ‘fulldiag’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:23:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                       1
Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:26:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                          1
Warning: Unused variable ‘gj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:73:48:
   73 |       & egap, et, maxiter, prlevel, restart, grd, acc, energy, gradient, res)
      |                                                1
Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument]
../src/scf_module.f90:185:39:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                                       1
Warning: Unused variable ‘gtmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:52:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                    1
Warning: Unused variable ‘h0s’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:19:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                   1
Warning: Unused variable ‘h0sr’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:31:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                               1
Warning: Unused variable ‘hav’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:39:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                       1
Warning: Unused variable ‘hdii’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:44:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                            1
Warning: Unused variable ‘hdjj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:177:43:
  177 |    real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix
      |                                           1
Warning: Unused variable ‘hlgap’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:57:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                         1
Warning: Unused variable ‘hmat’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:19:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                   1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:22:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                      1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:33:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                 1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:193:17:
  193 |    integer :: ich ! file handle
      |                 1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:200:50:
  200 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                                                  1
Warning: Unused variable ‘iniqsh’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:48:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                                1
Warning: Unused variable ‘jmpol’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:197:19:
  197 |    integer :: is,js,gav
      |                   1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:27:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                           1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:56:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                                        1
Warning: Unused variable ‘kdampxb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:187:39:
  187 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                                       1
Warning: Unused variable ‘kexpe’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:26:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                          1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:58:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                                          1
Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:41:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:16:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:45:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                             1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:61:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                                             1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:64:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:160:20:
  160 |    real(wp) :: molc6,molc8,molpol
      |                    1
Warning: Unused variable ‘molc6’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:160:26:
  160 |    real(wp) :: molc6,molc8,molpol
      |                          1
Warning: Unused variable ‘molc8’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:39:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                       1
Warning: Unused variable ‘ndimv’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:28:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                            1
Warning: Unused variable ‘nfoda’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:34:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                  1
Warning: Unused variable ‘nfodb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:25:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                         1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:30:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                              1
Warning: Unused variable ‘np’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:17:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                 1
Warning: Unused variable ‘npr’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:58:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                                          1
Warning: Unused variable ‘r0i’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:62:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                                              1
Warning: Unused variable ‘r0j’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:42:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:27:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                           1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:62:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                              1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:59:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                           1
Warning: Unused variable ‘rav’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:42:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                          1
Warning: Unused variable ‘repab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:27:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                           1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:163:34:
  163 |    real(wp),allocatable :: rvol(:)
      |                                  1
Warning: Unused variable ‘rvol’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:124:35:
  124 |    real(wp),allocatable :: S12(:,:)
      |                                   1
Warning: Unused variable ‘s12’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:17:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                 1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:20:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                    1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:187:22:
  187 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                      1
Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:187:25:
  187 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                         1
Warning: Unused variable ‘t7’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:63:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                               1
Warning: Unused variable ‘tab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:55:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                       1
Warning: Unused variable ‘tex’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:61:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                                             1
Warning: Unused variable ‘vvxb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:17:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                 1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:20:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                    1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:17:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                 1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:17:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                 1
Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:20:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                    1
Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:21:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                     1
Warning: Unused variable ‘xa’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:24:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                        1
Warning: Unused variable ‘xb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:136:36:
  136 |    real(wp),allocatable :: Xcao(:,:)
      |                                    1
Warning: Unused variable ‘xcao’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:20:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                    1
Warning: Unused variable ‘xj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:19:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                   1
Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:39:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                       1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:27:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                           1
Warning: Unused variable ‘ya’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:30:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                              1
Warning: Unused variable ‘yb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:51:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                   1
Warning: Unused variable ‘yy’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:33:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                 1
Warning: Unused variable ‘za’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:36:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                    1
Warning: Unused variable ‘zb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:863:0:
  863 | pure elemental function early3d(i) result(bool)
      | 
Warning: ‘early3d’ defined but not used [-Wunused-function]
[447/541] true
[448/541] true
[449/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_symparam.f90.o -c ../src/symparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/symparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/symparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[450/541] true
[451/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_set_module.f90.o -c ../src/set_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/set_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/set_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/set_module.f90:2380:19:
 2380 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2378:18:
 2378 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2379:19:
 2379 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2381:19:
 2381 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2361:24:
 2361 | subroutine set_split(env,key,val)
      |                        1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2361:28:
 2361 | subroutine set_split(env,key,val)
      |                            1
Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2361:32:
 2361 | subroutine set_split(env,key,val)
      |                                1
Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2296:18:
 2296 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2299:19:
 2299 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2272:19:
 2272 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2270:18:
 2270 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2271:19:
 2271 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2273:19:
 2273 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2210:18:
 2210 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2222:23:
 2222 |    logical,save :: set8 = .true.
      |                       1
Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2166:62:
 2166 |    character(len=p_str_length),dimension(p_arg_length) :: argv
      |                                                              1
Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2159:18:
 2159 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2164:16:
 2164 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2165:19:
 2165 |    integer  :: narg
      |                   1
Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2118:18:
 2118 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2119:19:
 2119 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2096:18:
 2096 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2097:19:
 2097 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2099:19:
 2099 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2052:19:
 2052 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2050:18:
 2050 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2051:19:
 2051 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2053:19:
 2053 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2061:23:
 2061 |    logical,save :: set8 = .true.
      |                       1
Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2026:18:
 2026 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2029:19:
 2029 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1990:18:
 1990 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1991:19:
 1991 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1993:19:
 1993 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1961:18:
 1961 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1962:19:
 1962 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1964:19:
 1964 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1967:23:
 1967 |    logical,save :: set3 = .true.
      |                       1
Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1917:18:
 1917 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1920:19:
 1920 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1848:18:
 1848 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1814:18:
 1814 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1817:19:
 1817 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1786:18:
 1786 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1787:19:
 1787 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1789:19:
 1789 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1733:18:
 1733 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1634:18:
 1634 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1579:18:
 1579 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1582:19:
 1582 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1412:18:
 1412 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1433:24:
 1433 |    logical,save :: set18 = .true.
      |                        1
Warning: Unused variable ‘set18’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1364:18:
 1364 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1367:19:
 1367 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1319:19:
 1319 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1317:18:
 1317 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1248:19:
 1248 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1246:18:
 1246 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1105:19:
 1105 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1103:18:
 1103 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1104:19:
 1104 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1082:18:
 1082 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1062:18:
 1062 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1044:18:
 1044 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:729:19:
  729 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:722:15:
  722 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:724:16:
  724 |    integer :: ic
      |                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/set_module.f90:725:16:
  725 |    integer :: ie
      |                1
Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable]
../src/set_module.f90:718:38:
  718 |    character(len=:),allocatable :: key
      |                                      1
Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable]
../src/set_module.f90:719:38:
  719 |    character(len=:),allocatable :: val
      |                                      1
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
../src/set_module.f90:686:19:
  686 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:568:15:
  568 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:458:15:
  458 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:433:15:
  433 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90: In function ‘__xtb_setmod_MOD_write_set_thermo’:
../src/set_module.f90:234: warning: ‘idum’ is used uninitialized in this function [-Wuninitialized]
  234 |    if (thermotemp(idum+1).ne.0.0_wp) idum = size(thermotemp,1)
      | 
[452/541] true
[453/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_rdcoord2.f90.o -c ../src/rdcoord2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/rdcoord2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/rdcoord2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/rdcoord2.f90:286:20:
  286 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/rdcoord2.f90:281:40:
  281 |    character(len=:),allocatable :: wfile
      |                                        1
Warning: Unused variable ‘wfile’ declared at (1) [-Wunused-variable]
../src/rdcoord2.f90:41:18:
   41 |    integer  :: j,k,ich,cs,cf,ncheck
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[454/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_symtranslib.f90.o -c ../src/symtranslib.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/symtranslib.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/symtranslib.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/symtranslib.f90:296:51:
  296 |   250 call mult3 (u(1,nto*ncoset+it),scr,u(1,it),3)
      |                                                   1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 250 at (1)
../src/symtranslib.f90:340:51:
  340 |       5 write(6,'(i4,1x,9f8.4)') it,(u(i,it),i=1,9)
      |                                                   1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 5 at (1)
../src/symtranslib.f90:472:18:
  472 |   10  unit(i) = a0
      |                  1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/symtranslib.f90:507:27:
  507 |   200 gen(i,ngen) = unit(i)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 200 at (1)
../src/symtranslib.f90:532:27:
  532 |   350 gen(i,ngen) =-unit(i)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 350 at (1)
../src/symtranslib.f90:551:22:
  551 |   420 gen(i,ngen) = a0
      |                      1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 420 at (1)
../src/symtranslib.f90:587:28:
  587 |   550 gen(j,ngen) = -unit(j)
      |                            1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 550 at (1)
../src/symtranslib.f90:606:27:
  606 |   700 gen(j,ngen) = unit(j)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 700 at (1)
../src/symtranslib.f90:700:18:
  700 |       do 575 j=1,3
      |                  1
Warning: Fortran 2018 deleted feature: Shared DO termination label 575 at (1)
../src/symtranslib.f90:742:37:
  742 |   10  s = s + (b(k)-a(k))*(b(k)-a(k))
      |                                     1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/symtranslib.f90:761:27:
  761 |   10  s = s + b(i,k)*c(k,j)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/symtranslib.f90:762:16:
  762 |   20  a(i,j) = s
      |                1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/symtranslib.f90:187:48:
  187 |       subroutine grpsmb(sflies,csf,cla,nn,nprisy)
      |                                                1
Warning: Unused dummy argument ‘nprisy’ at (1) [-Wunused-dummy-argument]
../src/symtranslib.f90:623:28:
  623 |       integer ntrans,i,j,nat,it,k,m
      |                            1
Warning: Unused variable ‘nat’ declared at (1) [-Wunused-variable]
[455/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_timing.f90.o -c ../src/timing.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/timing.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/timing.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[456/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_thermo.f90.o -c ../src/thermo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/thermo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/thermo.f90:247:72:
  247 | subroutine oldthermo(a,b,c,avmom,linear,atom,sym,molmass,vibs,nvibs,escf, &
      |                                                                        1
Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument]
../src/thermo.f90:297:43:
  297 |    real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot
      |                                           1
Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable]
../src/thermo.f90:119:26:
  119 |    real(wp) :: ewj,omega,e,xxmom,xmom,mu
      |                          1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/thermo.f90:80:36:
   80 |       &              vibs,nvibs,escf,T,sthr_rcm,et,ht,g,ts,zp,pr)
      |                                    1
Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument]
../src/thermo.f90:116:43:
  116 |    real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot
      |                                           1
Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable]
../src/thermo.f90:120:24:
  120 |    real(wp) :: wofrot,RT
      |                        1
Warning: Unused variable ‘rt’ declared at (1) [-Wunused-variable]
../src/thermo.f90:119:37:
  119 |    real(wp) :: ewj,omega,e,xxmom,xmom,mu
      |                                     1
Warning: Unused variable ‘xmom’ declared at (1) [-Wunused-variable]
../src/thermo.f90:119:32:
  119 |    real(wp) :: ewj,omega,e,xxmom,xmom,mu
      |                                1
Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable]
../src/thermo.f90:35:37:
   35 |    integer,allocatable :: ictdum(:,:)
      |                                     1
Warning: Unused variable ‘ictdum’ declared at (1) [-Wunused-variable]
[457/541] true
[458/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_tmgrad.f90.o -c ../src/tmgrad.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/tmgrad.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/tmgrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/tmgrad.f90:50:5:
   44 | 20 read(ien,'(a)',end=44)a
      |                          2
......
   50 |    44 write(jen,'(i6,3F18.11)')j+1,edum,edum,edum
      |     1
Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2)
../src/tmgrad.f90:78:5:
   72 | 21 read(igr,'(a)',end=41)a
      |                          2
......
   78 |    41 write(jgr,'(''  cycle = '',i6,4x,''SCF energy ='',F18.11,3x, &
      |     1
Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2)
../src/tmgrad.f90:28:20:
   28 |    integer  :: i,j,k,nn,stat
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/tmgrad.f90:28:28:
   28 |    integer  :: i,j,k,nn,stat
      |                            1
Warning: Unused variable ‘stat’ declared at (1) [-Wunused-variable]
[459/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_topology.f90.o -c ../src/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/topology.f90:136:17:
  136 |    integer :: iat, neigh
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
[460/541] true
[461/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_wrmodef.f90.o -c ../src/wrmodef.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/wrmodef.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/wrmodef.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/wrmodef.f90:186:8:
  186 |    use iso_fortran_env, wp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/wrmodef.f90:37:37:
   37 |    integer i,k,j,ik,kl,l,root,lend,b1,b2,n3
      |                                     1
Warning: Unused variable ‘b1’ declared at (1) [-Wunused-variable]
../src/wrmodef.f90:37:40:
   37 |    integer i,k,j,ik,kl,l,root,lend,b1,b2,n3
      |                                        1
Warning: Unused variable ‘b2’ declared at (1) [-Wunused-variable]
../src/wrmodef.f90:30:21:
   30 |    real(wp) :: norm,w
      |                     1
Warning: Unused variable ‘w’ declared at (1) [-Wunused-variable]
../src/wrmodef.f90:18:37:
   18 | subroutine wrmodef(typ,n,at,xyzin,wbo,rmass,freq,u,udum,vthr,linear)
      |                                     1
Warning: Unused dummy argument ‘wbo’ at (1) [-Wunused-dummy-argument]
[462/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_wrmo.f90.o -c ../src/wrmo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/wrmo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/wrmo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/wrmo.f90:18:34:
   18 | subroutine write_tm_mos(iunit,n,at,basis,wfn)
      |                                  1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/wrmo.f90:18:40:
   18 | subroutine write_tm_mos(iunit,n,at,basis,wfn)
      |                                        1
Warning: Unused dummy argument ‘basis’ at (1) [-Wunused-dummy-argument]
[463/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_zmatpr.f90.o -c ../src/zmatpr.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/zmatpr.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/zmatpr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/zmatpr.f90:29:17:
   29 |    logical  :: ex
      |                 1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
[464/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/symmetry_symmetry.f90.o -c ../symmetry/symmetry.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../symmetry/symmetry.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../symmetry/symmetry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[465/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xhelp.f90.o -c ../src/xhelp.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xhelp.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xhelp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[466/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_peeq_module.f90.o -c ../src/peeq_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/peeq_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/peeq_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/peeq_module.f90:1600:27:
 1600 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:61:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:35:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:16:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1600:18:
 1600 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:14:
 1601 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:17:
 1601 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:53:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                     1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1606:72:
 1606 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                                                                        1
Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1606:28:
 1606 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                            1
Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:38:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:41:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:35:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:44:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:18:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:57:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                         1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:29:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:20:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                    1
Warning: Unused variable ‘m��� declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:47:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:50:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:32:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1559:21:
 1559 |       & thr, nao, nbf, at, xyz, trans, P, Pew, g, sigma, dHdcn, dHdq)
      |                     1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1602:47:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:57:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:48:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:21:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                     1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:18:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:21:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:37:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:44:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:25:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:34:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:43:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:30:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:57:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:53:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:48:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:15:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:22:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:31:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:37:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:43:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:27:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:30:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:33:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:36:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1600:16:
 1600 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:16:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:21:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:26:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:24:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1619:17:
 1619 |    integer  :: tx,ty,tz
      |                 1
Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1619:20:
 1619 |    integer  :: tx,ty,tz
      |                    1
Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1619:23:
 1619 |    integer  :: tx,ty,tz
      |                       1
Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:27:
 1366 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:61:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:35:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:16:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:18:
 1366 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:14:
 1367 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:17:
 1367 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:53:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                     1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1372:72:
 1372 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                                                                        1
Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:38:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:41:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:35:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:44:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:18:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:57:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                         1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:29:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:20:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:47:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:50:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:32:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1324:21:
 1324 |       & thr, nao, nbf, at, xyz, lattice, P, Pew, g, sigma, dHdcn, dHdq, wsc)
      |                     1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1368:47:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:57:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:48:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:21:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                     1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:18:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:21:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:37:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:44:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:25:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:34:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:43:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:30:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:57:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:53:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:48:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:15:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:22:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:31:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:37:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:43:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:27:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:30:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:33:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:36:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:16:
 1366 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:16:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:21:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:26:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:24:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1278:17:
 1278 |    real(wp) :: ab,est,saw,sawg(3)
      |                 1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1277:42:
 1277 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1254:76:
 1254 | pure subroutine get_grad_overlap(icao,jcao,naoi,naoj,iptyp,jptyp,ri,rj,point,intcut, &
      |                                                                            1
Warning: Unused dummy argument ‘point’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1212:42:
 1212 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:47:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                               1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1043:45:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                             1
Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1043:19:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:14:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:17:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:20:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:38:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1041:27:
 1041 |    real(wp)  ri(3),rj(3),f1,f2
      |                           1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1041:30:
 1041 |    real(wp)  ri(3),rj(3),f1,f2
      |                              1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1049:14:
 1049 |    integer kat
      |              1
Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:38:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:41:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:35:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:44:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:18:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:29:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:20:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:47:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:50:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:32:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1000:71:
 1000 | subroutine pbc_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, &
      |                                                                       1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1043:55:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                                       1
Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1043:27:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:18:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:21:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:34:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:30:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:25:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:15:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1044:22:
 1044 |    real(wp) sstmp(6,6) !TESTST
      |                      1
Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:36:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:42:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:27:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:30:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:33:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:36:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:16:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:21:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:26:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:31:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:24:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:47:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                               1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:854:45:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                             1
Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:854:19:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:14:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:17:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:20:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:38:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:852:32:
  852 |    real(wp)  ri(3),rj(3),t(3),f1,f2
      |                                1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:852:35:
  852 |    real(wp)  ri(3),rj(3),t(3),f1,f2
      |                                   1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:38:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:41:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:35:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:44:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:18:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:29:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:20:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:47:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:50:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:32:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:809:71:
  809 | subroutine ccm_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, &
      |                                                                       1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:854:55:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                                       1
Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:854:27:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:18:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:21:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:34:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:30:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:25:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:15:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:855:22:
  855 |    real(wp) sstmp(6,6) !TESTST
      |                      1
Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:36:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:42:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:27:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:30:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:33:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:36:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:16:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:21:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:26:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:31:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:24:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:693:17:
  693 |    integer :: i,j,k,wsAt
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:693:19:
  693 |    integer :: i,j,k,wsAt
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:700:19:
  700 |    real(wp) :: r2,r,dr,rab
      |                   1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:700:17:
  700 |    real(wp) :: r2,r,dr,rab
      |                 1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:693:24:
  693 |    integer :: i,j,k,wsAt
      |                        1
Warning: Unused variable ‘wsat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:624:26:
  624 |    real(wp) :: ri(3),dr(3)
      |                          1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:623:17:
  623 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:623:21:
  623 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:622:19:
  622 |    integer :: i,j,k,lin
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:622:23:
  622 |    integer :: i,j,k,lin
      |                       1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:624:20:
  624 |    real(wp) :: ri(3),dr(3)
      |                    1
Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:634:27:
  634 |    integer  :: latrep(3),tx,ty,tz,itr
      |                           1
Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:634:30:
  634 |    integer  :: latrep(3),tx,ty,tz,itr
      |                              1
Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:634:33:
  634 |    integer  :: latrep(3),tx,ty,tz,itr
      |                                 1
Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:43:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                                           1
Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:194:51:
  194 |    real(wp),allocatable,dimension(:)         :: aux
      |                                                   1
Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:161:19:
  161 |    real(wp) :: den2
      |                   1
Warning: Unused variable ‘den2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:162:19:
  162 |    real(wp) :: den4
      |                   1
Warning: Unused variable ‘den4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:156:51:
  156 |    real(wp) , allocatable, dimension(:,:,:) :: dlcn
      |                                                   1
Warning: Unused variable ‘dlcn’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:134:18:
  134 |    real(wp) :: dum
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:191:52:
  191 |    real(wp),allocatable,dimension(:)         :: ev_s
      |                                                    1
Warning: Unused variable ‘ev_s’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:136:16:
  136 |    logical :: ex
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:154:52:
  154 |    real(wp) , allocatable, dimension(:,:,:) :: grab0
      |                                                    1
Warning: Unused variable ‘grab0’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:46:57:
   46 |       (env,mol,wfn,basis,xtbData,gbsa,egap,et,prlevel,grd,ccm,acc,etot,gradient,sigma,res)
      |                                                         1
Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:157:51:
  157 |    real(wp),               dimension(2)     :: hbpi
      |                                                   1
Warning: Unused variable ‘hbpi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:158:51:
  158 |    real(wp),               dimension(2)     :: hbpj
      |                                                   1
Warning: Unused variable ‘hbpj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:167:18:
  167 |    integer  :: ich
      |                  1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:127:16:
  127 |    integer :: il,jl
      |                1
Warning: Unused variable ‘il’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:192:52:
  192 |    integer                                   :: info
      |                                                    1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:19:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                   1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:127:19:
  127 |    integer :: il,jl
      |                   1
Warning: Unused variable ‘jl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:163:19:
  163 |    real(wp) :: ken2
      |                   1
Warning: Unused variable ‘ken2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:164:19:
  164 |    real(wp) :: ken4
      |                   1
Warning: Unused variable ‘ken4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:46:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                                              1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:155:50:
  155 |    real(wp) , allocatable, dimension(:)     :: lcn
      |                                                  1
Warning: Unused variable ‘lcn’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:193:53:
  193 |    integer                                   :: lwork
      |                                                     1
Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:27:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                           1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:166:17:
  166 |    integer  :: nh
      |                 1
Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:165:18:
  165 |    integer  :: nhb
      |                  1
Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:153:51:
  153 |    real(wp) , allocatable, dimension(:)     :: rab0
      |                                                   1
Warning: Unused variable ‘rab0’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:117:23:
  117 |    integer :: rep_cn(3)
      |                       1
Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:190:52:
  190 |    real(wp),allocatable,dimension(:,:)       :: Stmp
      |                                                    1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:195:22:
  195 |    real(wp) :: test(1)
      |                      1
Warning: Unused variable ‘test’ declared at (1) [-Wunused-variable]
[467/541] true
[468/541] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ lib_xtb.a.p/symmetry_symmetry_i.c.o -MF lib_xtb.a.p/symmetry_symmetry_i.c.o.d -o lib_xtb.a.p/symmetry_symmetry_i.c.o -c ../symmetry/symmetry_i.c
../symmetry/symmetry_i.c: In function ‘optimize_transformation_params’:
../symmetry/symmetry_i.c:554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  554 |     if( cycle >= MaxOptCycles )
      |     ^~
../symmetry/symmetry_i.c:556:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  556 |         printf( "        optimization completed after %d cycles with f = %g\n", cycle, f ) ;
      |         ^~~~~~
../symmetry/symmetry_i.c: In function ‘init_axis_parameters’:
../symmetry/symmetry_i.c:1055:12: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 1055 |     else if( axis->direction[1] <= 0 )
      |            ^
../symmetry/symmetry_i.c:1052:3: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 1052 | if( axis->direction[0] <= 0 )
      |   ^
../symmetry/symmetry_i.c: In function ‘find_improper_axes’:
../symmetry/symmetry_i.c:1409:1: warning: multi-line comment [-Wcomment]
 1409 | //#pragma omp parallel for private(i,j,k, axis) \
      | ^
../symmetry/symmetry_i.c: In function ‘identify_point_group’:
../symmetry/symmetry_i.c:1691:14: warning: unused variable ‘j’ [-Wunused-variable]
 1691 |  int         j ;
      |              ^
[469/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_calculator.f90.o -c ../src/xtb/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/calculator.f90:284:47:
  284 | subroutine print_gfn2_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:265:47:
  265 | subroutine print_gfn1_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:248:53:
  248 | subroutine print_gfn0_results(iunit,res,verbose,lsolv)
      |                                                     1
Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:248:47:
  248 | subroutine print_gfn0_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:137:19:
  137 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/xtb/calculator.f90:135:25:
  135 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
[470/541] true
[471/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_environment.f90.o -c ../src/api/environment.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/environment.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/api/environment.f90:185:43:
  185 | subroutine setVerbosity_api(venv, verbosity) &
      |                                           1
Warning: Variable ‘verbosity’ at (1) is a dummy argument of the BIND(C) procedure ‘setverbosity_api’ but may not be C interoperable [-Wc-binding-type]
../src/api/environment.f90: In function ‘xtb_checkEnvironment’:
../src/api/environment.f90:99: warning: ‘status’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   99 | end function checkEnvironment_api
      | 
../src/api/environment.f90:80:50: note: ‘status’ was declared here
   80 | function checkEnvironment_api(venv) result(status) &
      |                                                  ^
[472/541] true
[473/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_molecule.f90.o -c ../src/api/molecule.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/molecule.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/api/molecule.f90:121:28:
  121 |    real(wp) :: latvecs(3, 3)
      |                            1
Warning: Unused variable ‘latvecs’ declared at (1) [-Wunused-variable]
[474/541] true
[475/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_setup.f90.o -c ../src/main/setup.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/setup.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/setup.f90:228:33:
  228 |    type(TxTBParameter) :: globpar
      |                                 1
Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable]
../src/main/setup.f90:230:26:
  230 |    logical :: exist, okbas
      |                          1
Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable]
[476/541] true
[477/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_defaults.f90.o -c ../src/main/defaults.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/defaults.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/defaults.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[478/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_results.f90.o -c ../src/api/results.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/results.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/results.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[479/541] true
[480/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_calculator.f90.o -c ../src/api/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[481/541] true
[482/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_interface.f90.o -c ../src/api/interface.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/interface.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/interface.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[483/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_hessian.F90.o -c ../src/hessian.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
../src/hessian.F90:1316:28:
 1316 |    character(len=5)  :: adum
      |                            1
Warning: Unused variable ‘adum’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:43:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                                           1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:45:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                                             1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/hessian.F90:689:11:
  689 |       & env,mol,hbias)
      |           1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/hessian.F90:715:19:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                   1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:21:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:23:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/hessian.F90:75:43:
   75 |    real(wp) :: sum1,sum2,trdip(3),dipole(3)
      |                                           1
Warning: Unused variable ‘dipole’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:46:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                                              1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:42:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                                          1
Warning: Unused variable ‘dumi’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:19:
   74 |    real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298
      |                   1
Warning: Unused variable ‘dumj’ declared at (1) [-Wunused-variable]
../src/hessian.F90:62:20:
   62 |    real(wp) :: ebias
      |                    1
Warning: Unused variable ‘ebias’ declared at (1) [-Wunused-variable]
../src/hessian.F90:108:17:
  108 |    integer :: err
      |                 1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/hessian.F90:25:28:
   25 |       & egap,et,maxiter,etot,gr,sr,res)
      |                            1
Warning: Unused dummy argument ‘etot’ at (1) [-Wunused-dummy-argument]
../src/hessian.F90:106:16:
  106 |    logical :: ex,rd
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/hessian.F90:109:46:
  109 |    character(len=:),allocatable :: hname,fname
      |                                              1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:59:
   74 |    real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298
      |                                                           1
Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:54:
   74 |    real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298
      |                                                      1
Warning: Unused variable ‘hof’ declared at (1) [-Wunused-variable]
../src/hessian.F90:107:17:
  107 |    integer :: ich ! file handle
      |                 1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/hessian.F90:78:33:
   78 |    integer  :: nread,kend,lowmode
      |                                 1
Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable]
../src/hessian.F90:78:20:
   78 |    integer  :: nread,kend,lowmode
      |                    1
Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable]
../src/hessian.F90:77:59:
   77 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj
      |                                                           1
Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:21:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                     1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/hessian.F90:77:62:
   77 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj
      |                                                              1
Warning: Unused variable ‘rj’ declared at (1) [-Wunused-variable]
../src/hessian.F90:75:19:
   75 |    real(wp) :: sum1,sum2,trdip(3),dipole(3)
      |                   1
Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable]
../src/hessian.F90:76:23:
   76 |    real(wp) :: trpol(3),sl(3,3)
      |                       1
Warning: Unused variable ‘trpol’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:31:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                               1
Warning: Unused variable ‘zpve’ declared at (1) [-Wunused-variable]
../src/hessian.F90: In function ‘__xtb_hessian_MOD_distort’:
../src/hessian.F90:821: warning: ‘xyz2.offset’ is used uninitialized in this function [-Wuninitialized]
  821 |    xyz2 = mol%xyz
      | 
../src/hessian.F90:821: warning: ‘xyz2.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:821: warning: ‘xyz2.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:821: warning: ‘xyz2.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:821: warning: ‘xyz2.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[484/541] true
[485/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_optimizer.f90.o -c ../src/optimizer.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/optimizer.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/optimizer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/optimizer.f90:483:20:
  483 |    parameter (r4dum=1.e-8)
      |                    1
Warning: Change of value in conversion from ‘REAL(8)’ to ‘REAL(4)’ at (1) [-Wconversion]
../src/optimizer.f90:627:28:
  627 |    Aaug(1:npvar)          = anc%hess
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:628:28:
  628 |    Aaug(npvar+1:npvar1-1) = gint
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:638:17:
  638 |          Uaug  = Uaug/dsnrm
      |                 1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:975:16:
  975 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:743:19:
  743 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:715:19:
  715 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:475:33:
  475 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                                 1
Warning: Unused variable ‘dnorm’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:476:33:
  476 |    real(wp) :: depred,echng,dummy,maxd,alp,gchng,smallreal,gnold
      |                                 1
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:16:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:52:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                                    1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:43:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                           1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:27:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:30:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                              1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:475:21:
  475 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                     1
Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:37:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                     1
Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:46:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:49:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                 1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:55:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:52:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                    1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:58:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                          1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:475:48:
  475 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                                                1
Warning: Unused variable ‘xdum’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:26:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                          1
Warning: Unused variable ‘amu2au’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:32:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                                1
Warning: Unused variable ‘au2cm’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:155:33:
  155 |    real(wp),allocatable :: aux(:)
      |                                 1
Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:152:34:
  152 |    real(wp),allocatable :: b (:,:)
      |                                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:47:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                                               1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:57:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                                                         1
Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:131:18:
  131 |    real(wp) :: eel
      |                  1
Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:45:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                             1
Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:156:34:
  156 |    real(wp),allocatable :: hess(:)
      |                                  1
Warning: Unused variable ‘hess’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:38:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                      1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:32:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:44:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                            1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:52:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                                    1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:147:53:
  147 |    integer  :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii
      |                                                     1
Warning: Unused variable ‘itry’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:157:35:
  157 |    integer, allocatable :: iwork(:)
      |                                   1
Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:41:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                         1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:35:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                   1
Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:47:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                               1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:29:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                             1
Warning: Unused variable ‘jjj’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:25:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:17:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                 1
Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:147:30:
  147 |    integer  :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii
      |                              1
Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:141:27:
  141 |    type(scc_results) :: res
      |                           1
Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:56:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                        1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:19:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                   1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:62:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                              1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:59:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:158:36:
  158 |    integer, allocatable :: totsym(:)
      |                                    1
Warning: Unused variable ‘totsym’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:68:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                                    1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:65:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
[486/541] true
[487/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_property.f90.o -c ../src/main/property.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/property.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/property.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/property.f90:1177:27:
 1177 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                           1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/main/property.f90:1177:25:
 1177 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                         1
Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable]
../src/main/property.f90:981:25:
  981 |    logical linear,atom,da
      |                         1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:36:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                    1
Warning: Unused variable ‘fswitch’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:42:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                          1
Warning: Unused variable ‘lnq_r’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:48:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                                1
Warning: Unused variable ‘lnq_v’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:28:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                            1
Warning: Unused variable ‘maxfreq’ declared at (1) [-Wunused-variable]
../src/main/property.f90:969:26:
  969 |    integer nn,nvib,i,j,k,n,nvib_theo,isthr
      |                          1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/main/property.f90:969:13:
  969 |    integer nn,nvib,i,j,k,n,nvib_theo,isthr
      |             1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:20:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                    1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/main/property.f90:964:18:
  964 |    real(wp) xx(10),sthr,temp,scale_factor
      |                  1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/main/property.f90:886:48:
  886 | subroutine print_fod_population(iunit,ifile,n,at,sym,nao,S,C,etemp,emo,ihomoa, &
      |                                                1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:850:43:
  850 | subroutine print_spin_population(iunit,n,at,sym,nao,focca,foccb,S,C,aoat2,lao2)
      |                                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:807:34:
  807 | subroutine print_dipole(iunit,n,at,xyz,z,nao,P,dpint)
      |                                  1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:664:18:
  664 |    integer  :: i,j,k,nfrag
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/property.f90:664:20:
  664 |    integer  :: i,j,k,nfrag
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/property.f90:665:19:
  665 |    real(wp) :: xsum
      |                   1
Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable]
../src/main/property.f90:419:28:
  419 |    real(wp) :: etot,h298,dum
      |                            1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/main/property.f90:419:19:
  419 |    real(wp) :: etot,h298,dum
      |                   1
Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable]
../src/main/property.f90:419:24:
  419 |    real(wp) :: etot,h298,dum
      |                        1
Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable]
../src/main/property.f90:413:41:
  413 |    character(len=:),allocatable  :: hname
      |                                         1
Warning: Unused variable ‘hname’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:19:
  412 |    integer  :: i,ii,j,jj,k,l
      |                   1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:21:
  412 |    integer  :: i,ii,j,jj,k,l
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:24:
  412 |    integer  :: i,ii,j,jj,k,l
      |                        1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:26:
  412 |    integer  :: i,ii,j,jj,k,l
      |                          1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:28:
  412 |    integer  :: i,ii,j,jj,k,l
      |                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/main/property.f90:420:22:
  420 |    integer  :: lowmode
      |                      1
Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable]
../src/main/property.f90:286:18:
  286 |    real(wp) :: acc,intcut,neglect
      |                  1
Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable]
../src/main/property.f90:285:18:
  285 |    real(wp) :: dip,dipol(3)
      |                  1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/main/property.f90:285:27:
  285 |    real(wp) :: dip,dipol(3)
      |                           1
Warning: Unused variable ‘dipol’ declared at (1) [-Wunused-variable]
../src/main/property.f90:286:25:
  286 |    real(wp) :: acc,intcut,neglect
      |                         1
Warning: Unused variable ‘intcut’ declared at (1) [-Wunused-variable]
../src/main/property.f90:284:19:
  284 |    integer  :: ndim,ndp,nqp
      |                   1
Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable]
../src/main/property.f90:284:23:
  284 |    integer  :: ndim,ndp,nqp
      |                       1
Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:286:33:
  286 |    real(wp) :: acc,intcut,neglect
      |                                 1
Warning: Unused variable ‘neglect’ declared at (1) [-Wunused-variable]
../src/main/property.f90:284:27:
  284 |    integer  :: ndim,ndp,nqp
      |                           1
Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:246:33:
  246 |       (lverbose,mol,wfx,basis,res)
      |                                 1
Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:120:23:
  120 |    integer  :: ndim,ndp,nqp
      |                       1
Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:120:27:
  120 |    integer  :: ndim,ndp,nqp
      |                           1
Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:74:42:
   74 |       (iunit,env,mol,wfx,basis,xtbData,res,solvModel,acc)
      |                                          1
Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument]
[488/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_relaxation_engine.f90.o -c ../src/relaxation_engine.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/relaxation_engine.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/relaxation_engine.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/relaxation_engine.f90:956:24:
  956 |       Aaug(i*(1+i)/2) = 1.0_wp / hdiag(i)
      |                        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:958:28:
  958 |    Aaug(npvar+1:npvar1-1) = g_anc
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:589:21:
  589 |          hess(i,j) = hessp(ij)
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:590:21:
  590 |          hess(j,i) = hessp(ij)
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:630:35:
  630 |       where(abs(eig).gt.thr) eig = eig+damp
      |                                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:893:21:
  893 |    real(wp) :: depred
      |                     1
Warning: Unused variable ‘depred’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:887:20:
  887 |    integer :: i,j,ij
      |                    1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:887:17:
  887 |    integer :: i,j,ij
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:894:31:
  894 |    real(wp) :: max_displacement
      |                               1
Warning: Unused variable ‘max_displacement’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:780:22:
  780 |    integer :: lastiter
      |                      1
Warning: Unused variable ‘lastiter’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:191:19:
  191 |    real(wp) :: time
      |                   1
Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_inertial_relax’:
../src/relaxation_engine.f90:1265: warning: ‘lat_gnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1265 |                &       - lat_apar * lat_gradient/lat_gnorm * lat_speed
      | 
../src/relaxation_engine.f90:1267: warning: ‘lat_time_step’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1267 |                lat_time_step = min(lat_time_step * opt%finc, max_tstep)
      | 
../src/relaxation_engine.f90:1265: warning: ‘lat_apar’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1265 |                &       - lat_apar * lat_gradient/lat_gnorm * lat_speed
      | 
../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_l_ancopt’:
../src/relaxation_engine.f90:662: warning: ‘thr’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  662 |       if (k.ne.nvar) thr=thr*0.1_wp
      | 
[489/541] true
[490/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_geoopt_driver.f90.o -c ../src/geoopt_driver.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/geoopt_driver.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/geoopt_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[491/541] true
[492/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mdoptim.f90.o -c ../src/mdoptim.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mdoptim.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mdoptim.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mdoptim.f90:55:16:
   55 |    real(wp) :: e,angtoau
      |                1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:40:46:
   40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma)
      |                                              1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/mdoptim.f90:59:13:
   59 |    logical ex, fail
      |             1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:48:20:
   48 |    integer  :: icall,maxiter
      |                    1
Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:40:55:
   40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma)
      |                                                       1
Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument]
../src/mdoptim.f90:57:30:
   57 |    integer i,j,iz1,iz2,nall,ol
      |                              1
Warning: Unused variable ‘ol’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:52:27:
   52 |    type(scc_results) :: res
      |                           1
Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable]
[493/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_struc_converter.f90.o -c ../src/gfnff/struc_converter.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/struc_converter.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/struc_converter.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/struc_converter.f90:127:13:
  127 |   md_hmass = hmass_in
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/struc_converter.f90:26:38:
   26 |          & env,restart,mol,chk,egap,et,maxiter,maxcycle,&
      |                                      1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/gfnff/struc_converter.f90:68:54:
   68 |   logical                                     :: exist
      |                                                      1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/gfnff/struc_converter.f90:60:52:
   60 |   integer                                     :: ich
      |                                                    1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
[494/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_scan_driver.f90.o -c ../src/scan_driver.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/scan_driver.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/scan_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scan_driver.f90:55:20:
   55 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[495/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_getkopt.f90.o -c ../src/getkopt.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/getkopt.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/getkopt.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/getkopt.f90:112:43:
  112 |          & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,&
      |                                           1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/getkopt.f90:132:53:
  132 |   integer                                     :: idum
      |                                                     1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/getkopt.f90:112:27:
  112 |          & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,&
      |                           1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
../src/getkopt.f90:41:27:
   41 |          & etot,g,sigma,acc)
      |                           1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/getkopt.f90:67:53:
   67 |   logical                                     :: fail
      |                                                     1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../src/getkopt.f90:62:53:
   62 |   integer                                     :: idum
      |                                                     1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
[496/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_modef.f90.o -c ../src/modef.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/modef.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/modef.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/modef.f90:98:7:
   98 |    tag=365*val(1) + 30.5*val(2) + val(3) ! actual date
      |       1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/modef.f90:561:15:
  561 |    integer n3,i,nprj
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:34:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                  1
Warning: Unused variable ‘aa1’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:46:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                              1
Warning: Unused variable ‘aa2’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:38:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                      1
Warning: Unused variable ‘bb1’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:50:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                                  1
Warning: Unused variable ‘bb2’ declared at (1) [-Wunused-variable]
../src/modef.f90:67:71:
   67 |    real(wp),allocatable:: coord0(:,:), displ(:), xyzmin(:,:), bmat(:,:)
      |                                                                       1
Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:42:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                          1
Warning: Unused variable ‘cc1’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:54:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                                      1
Warning: Unused variable ‘cc2’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:68:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                                                    1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/modef.f90:59:19:
   59 |    integer :: icall,maxiter
      |                   1
Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable]
../src/modef.f90:74:36:
   74 |    integer :: m,ifind,isave,imod,kkk,minpos,tag,n36
      |                                    1
Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable]
../src/modef.f90:74:51:
   74 |    integer :: m,ifind,isave,imod,kkk,minpos,tag,n36
      |                                                   1
Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable]
../src/modef.f90:80:31:
   80 |    logical :: ex,fail,vecupdate,scfonly,ldum,intermol
      |                               1
Warning: Unused variable ‘vecupdate’ declared at (1) [-Wunused-variable]
[497/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_screening.f90.o -c ../src/screening.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/screening.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/screening.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/screening.f90:222:2:
  222 | 99 write(*,*)
      |  1
Warning: Label 99 at (1) defined but not used [-Wunused-label]
../src/screening.f90:83:11:
   83 |       nall=ntemp_siman*time_md*1000/50  ! number of qmdff write outs
      |           1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/screening.f90:279:22:
  279 |    integer  :: i,j,k,l,m,ndum,nstep,dumpstep
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/screening.f90:279:35:
  279 |    integer  :: i,j,k,l,m,ndum,nstep,dumpstep
      |                                   1
Warning: Unused variable ‘nstep’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:32:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                                1
Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable]
../src/screening.f90:71:23:
   71 |    logical :: checkrmsd
      |                       1
Warning: Unused variable ‘checkrmsd’ declared at (1) [-Wunused-variable]
../src/screening.f90:65:27:
   65 |    real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss
      |                           1
Warning: Unused variable ‘dens’ declared at (1) [-Wunused-variable]
../src/screening.f90:70:55:
   70 |    logical :: fail,equalrot2,ohbonded,include_enan,enan,ex
      |                                                       1
Warning: Unused variable ‘enan’ declared at (1) [-Wunused-variable]
../src/screening.f90:65:22:
   65 |    real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss
      |                      1
Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:24:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                        1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:27:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                           1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/screening.f90:49:16:
   49 |    integer icall,maxiter
      |                1
Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:19:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:39:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                                       1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:53:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                                                     1
Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:43:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                                           1
Warning: Unused variable ‘nst’ declared at (1) [-Wunused-variable]
../src/screening.f90:68:24:
   68 |    integer :: nall,ntemp,ncnf1,icyc,maxoptiter
      |                        1
Warning: Unused variable ‘ntemp’ declared at (1) [-Wunused-variable]
../src/screening.f90:70:37:
   70 |    logical :: fail,equalrot2,ohbonded,include_enan,enan,ex
      |                                     1
Warning: Unused variable ‘ohbonded’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:23:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                       1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/screening.f90:59:34:
   59 |    real(wp),allocatable :: rmat(:),eread(:)
      |                                  1
Warning: Unused variable ‘rmat’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:28:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                            1
Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:21:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                     1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
[498/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_bias_path.f90.o -c ../src/bias_path.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/bias_path.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/bias_path.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/bias_path.f90:862:31:
  862 |    real(wp)              :: dum, ddot
      |                               1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:863:31:
  863 |    integer               :: i,j,k,l
      |                               1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:852:34:
  852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr)
      |                                  1
Warning: Unused dummy argument ‘xyz0’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:852:39:
  852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr)
      |                                       1
Warning: Unused dummy argument ‘xyz1’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:770:17:
  770 |    real(wp) fs_x0,fs_x1,fss_x0,fss_x1
      |                 1
Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:770:23:
  770 |    real(wp) fs_x0,fs_x1,fss_x0,fss_x1
      |                       1
Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:776:17:
  776 |    integer :: i,j,nf
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:14:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |              1
Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:17:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                 1
Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:20:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                    1
Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:23:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                       1
Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:26:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                          1
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:29:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                             1
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:602:28:
  602 |    real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3)
      |                            1
Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:602:43:
  602 |    real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3)
      |                                           1
Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:564:43:
  564 |    real(wp), allocatable, dimension(:) :: v
      |                                           1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:525:15:
  525 |    integer :: i,j,k
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:526:25:
  526 |    integer :: modef, idat
      |                         1
Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:514:34:
  514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull)
      |                                  1
Warning: Unused dummy argument ‘its’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:525:17:
  525 |    integer :: i,j,k
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:525:19:
  525 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:526:19:
  526 |    integer :: modef, idat
      |                   1
Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:524:36:
  524 |    real(wp), allocatable :: pvec1(:), pvec2(:)
      |                                    1
Warning: Unused variable ‘pvec1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:524:46:
  524 |    real(wp), allocatable :: pvec1(:), pvec2(:)
      |                                              1
Warning: Unused variable ‘pvec2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:514:42:
  514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull)
      |                                          1
Warning: Unused dummy argument ‘xyzpath’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:88:18:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                  1
Warning: Unused variable ‘de_min’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:49:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                 1
Warning: Unused variable ‘distort’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:42:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                          1
Warning: Unused variable ‘drms’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:55:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                                       1
Warning: Unused variable ‘dum0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:50:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                                  1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:88:32:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                                1
Warning: Unused variable ‘e_ed’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:88:37:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                                     1
Warning: Unused variable ‘e_pr’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:86:57:
   86 |    real(wp) fnat,rmsd_prod_thr,alp_change,k_change,edrmsd,ppull
      |                                                         1
Warning: Unused variable ‘edrmsd’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:30:65:
   30 | subroutine bias_path(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma)
      |                                                                 1
Warning: Unused dummy argument ‘epot’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:91:18:
   91 |    logical fail,ex,done,degen
      |                  1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:47:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                               1
Warning: Unused variable ‘gnew’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:55:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                       1
Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:88:27:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                           1
Warning: Unused variable ‘grad_min’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:82:26:
   82 |    integer ilog,ilog2,idat ! file handle
      |                          1
Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:80:60:
   80 |    integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath
      |                                                            1
Warning: Unused variable ‘maxcycle’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:81:28:
   81 |    integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100)
      |                            1
Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:80:22:
   80 |    integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath
      |                      1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:66:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                                                  1
Warning: Unused variable ‘rms2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:80:32:
   80 |    integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath
      |                                1
Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:23:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                       1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:64:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                                1
Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:81:48:
   81 |    integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100)
      |                                                1
Warning: Unused variable ‘tsmodeav’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:71:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                                       1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:74:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                                          1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:17:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                 1
Warning: Unused variable ‘x3’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:30:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                              1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:665:0:
  665 | subroutine cqpath_repos_asym(n,x1,x2)
      | 
Warning: ‘cqpath_repos_asym’ defined but not used [-Wunused-function]
../src/bias_path.f90:698:0:
  698 | subroutine cqpath_cube_spline(n,x,y,x2,y2)
      | 
Warning: ‘cqpath_cube_spline’ defined but not used [-Wunused-function]
../src/bias_path.f90:852:0:
  852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr)
      | 
Warning: ‘cleanpath’ defined but not used [-Wunused-function]
../src/bias_path.f90: In function ‘__xtb_biaspath_MOD_bias_path’:
../src/bias_path.f90:746: warning: ‘y_wert’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  746 |       y2(i) = y_wert
      | 
../src/bias_path.f90:737:18: note: ‘y_wert’ was declared here
  737 |    real(wp) y_wert
      |                  ^
[499/541] rm -f libxtb.a && gcc-ar csrD libxtb.a lib_xtb.a.p/src_api_calculator.f90.o lib_xtb.a.p/src_api_environment.f90.o lib_xtb.a.p/src_api_molecule.f90.o lib_xtb.a.p/src_api_interface.f90.o lib_xtb.a.p/src_api_results.f90.o lib_xtb.a.p/src_api_utils.f90.o lib_xtb.a.p/src_api_version.f90.o lib_xtb.a.p/src_coulomb_ewald.f90.o lib_xtb.a.p/src_coulomb_gaussian.f90.o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o lib_xtb.a.p/src_disp_coordinationnumber.f90.o lib_xtb.a.p/src_disp_dftd3.f.o lib_xtb.a.p/src_disp_dftd3.f90.o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o lib_xtb.a.p/src_disp_dftd4.f90.o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o lib_xtb.a.p/src_disp_encharges.f90.o lib_xtb.a.p/src_disp_ncoord.f90.o lib_xtb.a.p/src_extern_mopac.f90.o lib_xtb.a.p/src_extern_orca.f90.o lib_xtb.a.p/src_extern_turbomole.f90.o lib_xtb.a.p/src_freq_project.f90.o lib_xtb.a.p/src_freq_utils.f90.o lib_xtb.a.p/src_gfnff_calculator.f90.o lib_xtb.a.p/src_gfnff_data.f90.o lib_xtb.a.p/src_gfnff_frag_hess.f90.o lib_xtb.a.p/src_gfnff_gdisp0.f90.o lib_xtb.a.p/src_gfnff_generator.f90.o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini2.f90.o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o lib_xtb.a.p/src_gfnff_math.f.o lib_xtb.a.p/src_gfnff_mrec.f90.o lib_xtb.a.p/src_gfnff_shake_module.f90.o lib_xtb.a.p/src_gfnff_struc_converter.f90.o lib_xtb.a.p/src_gfnff_topology.f90.o lib_xtb.a.p/src_io_reader_ctfile.f90.o lib_xtb.a.p/src_io_reader_gaussian.f90.o lib_xtb.a.p/src_io_reader_genformat.f90.o lib_xtb.a.p/src_io_reader_pdb.f90.o lib_xtb.a.p/src_io_reader_turbomole.f90.o lib_xtb.a.p/src_io_reader_vasp.f90.o lib_xtb.a.p/src_io_reader_xyz.f90.o lib_xtb.a.p/src_io_writer_ctfile.f90.o lib_xtb.a.p/src_io_writer_gaussian.f90.o lib_xtb.a.p/src_io_writer_genformat.f90.o lib_xtb.a.p/src_io_writer_orca.f90.o lib_xtb.a.p/src_io_writer_pdb.f90.o lib_xtb.a.p/src_io_writer_turbomole.f90.o lib_xtb.a.p/src_io_writer_vasp.f90.o lib_xtb.a.p/src_io_writer_xyz.f90.o lib_xtb.a.p/src_io_reader.f90.o lib_xtb.a.p/src_io_writer.f90.o lib_xtb.a.p/src_main_defaults.f90.o lib_xtb.a.p/src_main_geometry.f90.o lib_xtb.a.p/src_main_json.f90.o lib_xtb.a.p/src_main_property.f90.o lib_xtb.a.p/src_main_setup.f90.o lib_xtb.a.p/src_mctc_blas_level1.f90.o lib_xtb.a.p/src_mctc_blas_level2.f90.o lib_xtb.a.p/src_mctc_blas_level3.f90.o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o lib_xtb.a.p/src_mctc_lapack_eigensolve.f90.o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o lib_xtb.a.p/src_mctc_lapack_gst.f90.o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o lib_xtb.a.p/src_mctc_lapack_trf.f90.o lib_xtb.a.p/src_mctc_lapack_tri.f90.o lib_xtb.a.p/src_mctc_lapack_trs.f90.o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o lib_xtb.a.p/src_mctc_accuracy.f90.o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o lib_xtb.a.p/src_mctc_chartools.f90.o lib_xtb.a.p/src_mctc_convert.f90.o lib_xtb.a.p/src_mctc_filetypes.f90.o lib_xtb.a.p/src_mctc_io.f90.o lib_xtb.a.p/src_mctc_math.f90.o lib_xtb.a.p/src_mctc_namegen.f90.o lib_xtb.a.p/src_mctc_resize.f90.o lib_xtb.a.p/src_mctc_runtypes.f90.o lib_xtb.a.p/src_mctc_search.f90.o lib_xtb.a.p/src_mctc_sort.f90.o lib_xtb.a.p/src_mctc_symbols.f90.o lib_xtb.a.p/src_mctc_systools.F90.o lib_xtb.a.p/src_mctc_thresholds.f90.o lib_xtb.a.p/src_mctc_version.f90.o lib_xtb.a.p/src_mctc_mctc_global.f90.o lib_xtb.a.p/src_mctc_mctc_strings.f90.o lib_xtb.a.p/src_mctc_mctc_constants.f90.o lib_xtb.a.p/src_mctc_mctc_param.f90.o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o lib_xtb.a.p/src_mctc_param_chemical_hardnesses.f90.o lib_xtb.a.p/src_mctc_param_covalent_radii.f90.o lib_xtb.a.p/src_mctc_param_electronegativities.f90.o lib_xtb.a.p/src_mctc_param_pse.f90.o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o lib_xtb.a.p/src_mctc_mctc_timings.f90.o lib_xtb.a.p/src_mctc_mctc_filetools.f90.o lib_xtb.a.p/src_mctc_linalg.f90.o lib_xtb.a.p/src_mctc_lapack.f90.o lib_xtb.a.p/src_mctc_blas.f90.o lib_xtb.a.p/src_mctc_mctc_init.f90.o lib_xtb.a.p/src_mctc_error.f90.o lib_xtb.a.p/src_mctc_signal.c.o lib_xtb.a.p/src_param_atomicmass.f90.o lib_xtb.a.p/src_param_atomicrad.f90.o lib_xtb.a.p/src_param_covalentradd3.f90.o lib_xtb.a.p/src_param_paulingen.f90.o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o lib_xtb.a.p/src_param_vdwradd3.f90.o lib_xtb.a.p/src_type_anc.f90.o lib_xtb.a.p/src_type_atomlist.f90.o lib_xtb.a.p/src_type_basisset.f90.o lib_xtb.a.p/src_type_buffer.f90.o lib_xtb.a.p/src_type_calculator.f90.o lib_xtb.a.p/src_type_coulomb.f90.o lib_xtb.a.p/src_type_data.f90.o lib_xtb.a.p/src_type_dispersion_model.f90.o lib_xtb.a.p/src_type_dummycalc.f90.o lib_xtb.a.p/src_type_environment.f90.o lib_xtb.a.p/src_type_fragments.f90.o lib_xtb.a.p/src_type_identitymap.f90.o lib_xtb.a.p/src_type_iohandler.f90.o lib_xtb.a.p/src_type_molecule.f90.o lib_xtb.a.p/src_type_neighbourlist.f90.o lib_xtb.a.p/src_type_latticepoint.f90.o lib_xtb.a.p/src_type_options.f90.o lib_xtb.a.p/src_type_param.f90.o lib_xtb.a.p/src_type_pcem.f90.o lib_xtb.a.p/src_type_reader.F90.o lib_xtb.a.p/src_type_restart.f90.o lib_xtb.a.p/src_type_setvar.f90.o lib_xtb.a.p/src_type_solvation.f90.o lib_xtb.a.p/src_type_timer.f90.o lib_xtb.a.p/src_type_topology.f90.o lib_xtb.a.p/src_type_wavefunction.f90.o lib_xtb.a.p/src_type_wignerseitzcell.f90.o lib_xtb.a.p/src_type_wsc.f90.o lib_xtb.a.p/src_type_vendordata.f90.o lib_xtb.a.p/src_solv_born.f90.o lib_xtb.a.p/src_solv_cm5.f90.o lib_xtb.a.p/src_solv_gbsa.f90.o lib_xtb.a.p/src_solv_input.F90.o lib_xtb.a.p/src_solv_kernel.f90.o lib_xtb.a.p/src_solv_lebedev.f90.o lib_xtb.a.p/src_solv_model.f90.o lib_xtb.a.p/src_solv_sasa.f90.o lib_xtb.a.p/src_solv_state.f90.o lib_xtb.a.p/src_xtb_basisset.f90.o lib_xtb.a.p/src_xtb_calculator.f90.o lib_xtb.a.p/src_xtb_coulomb.f90.o lib_xtb.a.p/src_xtb_data.f90.o lib_xtb.a.p/src_xtb_dispersion.f90.o lib_xtb.a.p/src_xtb_eeq.f90.o lib_xtb.a.p/src_xtb_gfn0.f90.o lib_xtb.a.p/src_xtb_gfn1.f90.o lib_xtb.a.p/src_xtb_gfn2.f90.o lib_xtb.a.p/src_xtb_halogen.f90.o lib_xtb.a.p/src_xtb_hamiltonian.f90.o lib_xtb.a.p/src_xtb_multipole.f90.o lib_xtb.a.p/src_xtb_repulsion.f90.o lib_xtb.a.p/src_xtb_thirdorder.f90.o lib_xtb.a.p/src_aespot.f90.o lib_xtb.a.p/src_anharmlib.f90.o lib_xtb.a.p/src_aoparam.f90.o lib_xtb.a.p/src_approxrab.f90.o lib_xtb.a.p/src_axis_trafo.f90.o lib_xtb.a.p/src_basic_geo.f90.o lib_xtb.a.p/src_bfgs.f90.o lib_xtb.a.p/src_bias_path.f90.o lib_xtb.a.p/src_blowsy.f90.o lib_xtb.a.p/src_broyden.f90.o lib_xtb.a.p/src_charge_model.f90.o lib_xtb.a.p/src_coffee.f90.o lib_xtb.a.p/src_constrain_param.f90.o lib_xtb.a.p/src_constrain_pot.f90.o lib_xtb.a.p/src_constr.f90.o lib_xtb.a.p/src_cqpath.f90.o lib_xtb.a.p/src_cube.f90.o lib_xtb.a.p/src_david2.f90.o lib_xtb.a.p/src_david.f.o lib_xtb.a.p/src_define.f90.o lib_xtb.a.p/src_detrotra.f90.o lib_xtb.a.p/src_dipole.f90.o lib_xtb.a.p/src_drsp.f.o lib_xtb.a.p/src_dtrafo.f90.o lib_xtb.a.p/src_dynamic.f90.o lib_xtb.a.p/src_eeq_model.f90.o lib_xtb.a.p/src_elem.f90.o lib_xtb.a.p/src_embedding.f90.o lib_xtb.a.p/src_enso_printout.f90.o lib_xtb.a.p/src_eqrot.f90.o lib_xtb.a.p/src_esp.f.o lib_xtb.a.p/src_expire.f90.o lib_xtb.a.p/src_filetools.F90.o lib_xtb.a.p/src_fixparam.f90.o lib_xtb.a.p/src_foden.f90.o lib_xtb.a.p/src_fragment.f90.o lib_xtb.a.p/src_generate_wsc.f90.o lib_xtb.a.p/src_geoopt_driver.f90.o lib_xtb.a.p/src_geosum.f90.o lib_xtb.a.p/src_getkopt.f90.o lib_xtb.a.p/src_getname.f90.o lib_xtb.a.p/src_getsymnum.f90.o lib_xtb.a.p/src_gfn0param.f90.o lib_xtb.a.p/src_gfn_paramset.f90.o lib_xtb.a.p/src_gfn_prparam.f90.o lib_xtb.a.p/src_grad_core.f90.o lib_xtb.a.p/src_header.f90.o lib_xtb.a.p/src_hessian.F90.o lib_xtb.a.p/src_hlex.f90.o lib_xtb.a.p/src_ifind.f90.o lib_xtb.a.p/src_iniq.f90.o lib_xtb.a.p/src_intgrad.f90.o lib_xtb.a.p/src_intmodes.f90.o lib_xtb.a.p/src_intpack.f90.o lib_xtb.a.p/src_lidep.f90.o lib_xtb.a.p/src_lindh.f90.o lib_xtb.a.p/src_lin.f90.o lib_xtb.a.p/src_lin_mod.f90.o lib_xtb.a.p/src_local.f90.o lib_xtb.a.p/src_locmode.f90.o lib_xtb.a.p/src_lopt.f90.o lib_xtb.a.p/src_ls_rmsd.f90.o lib_xtb.a.p/src_makel.f90.o lib_xtb.a.p/src_matinv.f90.o lib_xtb.a.p/src_mdoptim.f90.o lib_xtb.a.p/src_metadynamic.f90.o lib_xtb.a.p/src_modef.f90.o lib_xtb.a.p/src_model_hessian.f90.o lib_xtb.a.p/src_neighbor.f90.o lib_xtb.a.p/src_onetri.f90.o lib_xtb.a.p/src_optimizer.f90.o lib_xtb.a.p/src_pbc.f90.o lib_xtb.a.p/src_pbc_tools.f90.o lib_xtb.a.p/src_peeq_module.f90.o lib_xtb.a.p/src_pocketscan.f90.o lib_xtb.a.p/src_pqn.f90.o lib_xtb.a.p/src_printmold.f90.o lib_xtb.a.p/src_printout.f90.o lib_xtb.a.p/src_prmat.f90.o lib_xtb.a.p/src_pseudodiag.f90.o lib_xtb.a.p/src_qmdff.f90.o lib_xtb.a.p/src_qpot.f90.o lib_xtb.a.p/src_qsort.f90.o lib_xtb.a.p/src_rdcoord2.f90.o lib_xtb.a.p/src_read_gfn_param.f90.o lib_xtb.a.p/src_readin.f90.o lib_xtb.a.p/src_readl2.f90.o lib_xtb.a.p/src_readl.f90.o lib_xtb.a.p/src_relaxation_engine.f90.o lib_xtb.a.p/src_restart.f90.o lib_xtb.a.p/src_rmrottr.f90.o lib_xtb.a.p/src_rmsd.f90.o lib_xtb.a.p/src_scan_driver.f90.o lib_xtb.a.p/src_scanparam.f90.o lib_xtb.a.p/src_scc_core.f90.o lib_xtb.a.p/src_scf_module.f90.o lib_xtb.a.p/src_screening.f90.o lib_xtb.a.p/src_set_module.f90.o lib_xtb.a.p/src_setparam.f90.o lib_xtb.a.p/src_shake_module.f90.o lib_xtb.a.p/src_shiftlp.f90.o lib_xtb.a.p/src_single.f90.o lib_xtb.a.p/src_slater.f90.o lib_xtb.a.p/src_sphereparam.f90.o lib_xtb.a.p/src_spline2.f90.o lib_xtb.a.p/src_spline3.f90.o lib_xtb.a.p/src_splitparam.f90.o lib_xtb.a.p/src_stm.f.o lib_xtb.a.p/src_surfac.f.o lib_xtb.a.p/src_symparam.f90.o lib_xtb.a.p/src_symtranslib.f90.o lib_xtb.a.p/src_thermo.f90.o lib_xtb.a.p/src_timing.f90.o lib_xtb.a.p/src_tmgrad.f90.o lib_xtb.a.p/src_topology.f90.o lib_xtb.a.p/src_wrbas.f90.o lib_xtb.a.p/src_wrgbw.f90.o lib_xtb.a.p/src_wrmodef.f90.o lib_xtb.a.p/src_wrmo.f90.o lib_xtb.a.p/src_xhelp.f90.o lib_xtb.a.p/src_zmatpr.f90.o lib_xtb.a.p/symmetry_symmetry.f90.o lib_xtb.a.p/symmetry_symmetry_i.c.o
[500/541] rm -f lib_xtb.a && gcc-ar csrD lib_xtb.a lib_xtb.a.p/src_api_calculator.f90.o lib_xtb.a.p/src_api_environment.f90.o lib_xtb.a.p/src_api_molecule.f90.o lib_xtb.a.p/src_api_interface.f90.o lib_xtb.a.p/src_api_results.f90.o lib_xtb.a.p/src_api_utils.f90.o lib_xtb.a.p/src_api_version.f90.o lib_xtb.a.p/src_coulomb_ewald.f90.o lib_xtb.a.p/src_coulomb_gaussian.f90.o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o lib_xtb.a.p/src_disp_coordinationnumber.f90.o lib_xtb.a.p/src_disp_dftd3.f.o lib_xtb.a.p/src_disp_dftd3.f90.o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o lib_xtb.a.p/src_disp_dftd4.f90.o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o lib_xtb.a.p/src_disp_encharges.f90.o lib_xtb.a.p/src_disp_ncoord.f90.o lib_xtb.a.p/src_extern_mopac.f90.o lib_xtb.a.p/src_extern_orca.f90.o lib_xtb.a.p/src_extern_turbomole.f90.o lib_xtb.a.p/src_freq_project.f90.o lib_xtb.a.p/src_freq_utils.f90.o lib_xtb.a.p/src_gfnff_calculator.f90.o lib_xtb.a.p/src_gfnff_data.f90.o lib_xtb.a.p/src_gfnff_frag_hess.f90.o lib_xtb.a.p/src_gfnff_gdisp0.f90.o lib_xtb.a.p/src_gfnff_generator.f90.o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini2.f90.o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o lib_xtb.a.p/src_gfnff_math.f.o lib_xtb.a.p/src_gfnff_mrec.f90.o lib_xtb.a.p/src_gfnff_shake_module.f90.o lib_xtb.a.p/src_gfnff_struc_converter.f90.o lib_xtb.a.p/src_gfnff_topology.f90.o lib_xtb.a.p/src_io_reader_ctfile.f90.o lib_xtb.a.p/src_io_reader_gaussian.f90.o lib_xtb.a.p/src_io_reader_genformat.f90.o lib_xtb.a.p/src_io_reader_pdb.f90.o lib_xtb.a.p/src_io_reader_turbomole.f90.o lib_xtb.a.p/src_io_reader_vasp.f90.o lib_xtb.a.p/src_io_reader_xyz.f90.o lib_xtb.a.p/src_io_writer_ctfile.f90.o lib_xtb.a.p/src_io_writer_gaussian.f90.o lib_xtb.a.p/src_io_writer_genformat.f90.o lib_xtb.a.p/src_io_writer_orca.f90.o lib_xtb.a.p/src_io_writer_pdb.f90.o lib_xtb.a.p/src_io_writer_turbomole.f90.o lib_xtb.a.p/src_io_writer_vasp.f90.o lib_xtb.a.p/src_io_writer_xyz.f90.o lib_xtb.a.p/src_io_reader.f90.o lib_xtb.a.p/src_io_writer.f90.o lib_xtb.a.p/src_main_defaults.f90.o lib_xtb.a.p/src_main_geometry.f90.o lib_xtb.a.p/src_main_json.f90.o lib_xtb.a.p/src_main_property.f90.o lib_xtb.a.p/src_main_setup.f90.o lib_xtb.a.p/src_mctc_blas_level1.f90.o lib_xtb.a.p/src_mctc_blas_level2.f90.o lib_xtb.a.p/src_mctc_blas_level3.f90.o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o lib_xtb.a.p/src_mctc_lapack_eigensolve.f90.o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o lib_xtb.a.p/src_mctc_lapack_gst.f90.o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o lib_xtb.a.p/src_mctc_lapack_trf.f90.o lib_xtb.a.p/src_mctc_lapack_tri.f90.o lib_xtb.a.p/src_mctc_lapack_trs.f90.o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o lib_xtb.a.p/src_mctc_accuracy.f90.o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o lib_xtb.a.p/src_mctc_chartools.f90.o lib_xtb.a.p/src_mctc_convert.f90.o lib_xtb.a.p/src_mctc_filetypes.f90.o lib_xtb.a.p/src_mctc_io.f90.o lib_xtb.a.p/src_mctc_math.f90.o lib_xtb.a.p/src_mctc_namegen.f90.o lib_xtb.a.p/src_mctc_resize.f90.o lib_xtb.a.p/src_mctc_runtypes.f90.o lib_xtb.a.p/src_mctc_search.f90.o lib_xtb.a.p/src_mctc_sort.f90.o lib_xtb.a.p/src_mctc_symbols.f90.o lib_xtb.a.p/src_mctc_systools.F90.o lib_xtb.a.p/src_mctc_thresholds.f90.o lib_xtb.a.p/src_mctc_version.f90.o lib_xtb.a.p/src_mctc_mctc_global.f90.o lib_xtb.a.p/src_mctc_mctc_strings.f90.o lib_xtb.a.p/src_mctc_mctc_constants.f90.o lib_xtb.a.p/src_mctc_mctc_param.f90.o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o lib_xtb.a.p/src_mctc_param_chemical_hardnesses.f90.o lib_xtb.a.p/src_mctc_param_covalent_radii.f90.o lib_xtb.a.p/src_mctc_param_electronegativities.f90.o lib_xtb.a.p/src_mctc_param_pse.f90.o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o lib_xtb.a.p/src_mctc_mctc_timings.f90.o lib_xtb.a.p/src_mctc_mctc_filetools.f90.o lib_xtb.a.p/src_mctc_linalg.f90.o lib_xtb.a.p/src_mctc_lapack.f90.o lib_xtb.a.p/src_mctc_blas.f90.o lib_xtb.a.p/src_mctc_mctc_init.f90.o lib_xtb.a.p/src_mctc_error.f90.o lib_xtb.a.p/src_mctc_signal.c.o lib_xtb.a.p/src_param_atomicmass.f90.o lib_xtb.a.p/src_param_atomicrad.f90.o lib_xtb.a.p/src_param_covalentradd3.f90.o lib_xtb.a.p/src_param_paulingen.f90.o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o lib_xtb.a.p/src_param_vdwradd3.f90.o lib_xtb.a.p/src_type_anc.f90.o lib_xtb.a.p/src_type_atomlist.f90.o lib_xtb.a.p/src_type_basisset.f90.o lib_xtb.a.p/src_type_buffer.f90.o lib_xtb.a.p/src_type_calculator.f90.o lib_xtb.a.p/src_type_coulomb.f90.o lib_xtb.a.p/src_type_data.f90.o lib_xtb.a.p/src_type_dispersion_model.f90.o lib_xtb.a.p/src_type_dummycalc.f90.o lib_xtb.a.p/src_type_environment.f90.o lib_xtb.a.p/src_type_fragments.f90.o lib_xtb.a.p/src_type_identitymap.f90.o lib_xtb.a.p/src_type_iohandler.f90.o lib_xtb.a.p/src_type_molecule.f90.o lib_xtb.a.p/src_type_neighbourlist.f90.o lib_xtb.a.p/src_type_latticepoint.f90.o lib_xtb.a.p/src_type_options.f90.o lib_xtb.a.p/src_type_param.f90.o lib_xtb.a.p/src_type_pcem.f90.o lib_xtb.a.p/src_type_reader.F90.o lib_xtb.a.p/src_type_restart.f90.o lib_xtb.a.p/src_type_setvar.f90.o lib_xtb.a.p/src_type_solvation.f90.o lib_xtb.a.p/src_type_timer.f90.o lib_xtb.a.p/src_type_topology.f90.o lib_xtb.a.p/src_type_wavefunction.f90.o lib_xtb.a.p/src_type_wignerseitzcell.f90.o lib_xtb.a.p/src_type_wsc.f90.o lib_xtb.a.p/src_type_vendordata.f90.o lib_xtb.a.p/src_solv_born.f90.o lib_xtb.a.p/src_solv_cm5.f90.o lib_xtb.a.p/src_solv_gbsa.f90.o lib_xtb.a.p/src_solv_input.F90.o lib_xtb.a.p/src_solv_kernel.f90.o lib_xtb.a.p/src_solv_lebedev.f90.o lib_xtb.a.p/src_solv_model.f90.o lib_xtb.a.p/src_solv_sasa.f90.o lib_xtb.a.p/src_solv_state.f90.o lib_xtb.a.p/src_xtb_basisset.f90.o lib_xtb.a.p/src_xtb_calculator.f90.o lib_xtb.a.p/src_xtb_coulomb.f90.o lib_xtb.a.p/src_xtb_data.f90.o lib_xtb.a.p/src_xtb_dispersion.f90.o lib_xtb.a.p/src_xtb_eeq.f90.o lib_xtb.a.p/src_xtb_gfn0.f90.o lib_xtb.a.p/src_xtb_gfn1.f90.o lib_xtb.a.p/src_xtb_gfn2.f90.o lib_xtb.a.p/src_xtb_halogen.f90.o lib_xtb.a.p/src_xtb_hamiltonian.f90.o lib_xtb.a.p/src_xtb_multipole.f90.o lib_xtb.a.p/src_xtb_repulsion.f90.o lib_xtb.a.p/src_xtb_thirdorder.f90.o lib_xtb.a.p/src_aespot.f90.o lib_xtb.a.p/src_anharmlib.f90.o lib_xtb.a.p/src_aoparam.f90.o lib_xtb.a.p/src_approxrab.f90.o lib_xtb.a.p/src_axis_trafo.f90.o lib_xtb.a.p/src_basic_geo.f90.o lib_xtb.a.p/src_bfgs.f90.o lib_xtb.a.p/src_bias_path.f90.o lib_xtb.a.p/src_blowsy.f90.o lib_xtb.a.p/src_broyden.f90.o lib_xtb.a.p/src_charge_model.f90.o lib_xtb.a.p/src_coffee.f90.o lib_xtb.a.p/src_constrain_param.f90.o lib_xtb.a.p/src_constrain_pot.f90.o lib_xtb.a.p/src_constr.f90.o lib_xtb.a.p/src_cqpath.f90.o lib_xtb.a.p/src_cube.f90.o lib_xtb.a.p/src_david2.f90.o lib_xtb.a.p/src_david.f.o lib_xtb.a.p/src_define.f90.o lib_xtb.a.p/src_detrotra.f90.o lib_xtb.a.p/src_dipole.f90.o lib_xtb.a.p/src_drsp.f.o lib_xtb.a.p/src_dtrafo.f90.o lib_xtb.a.p/src_dynamic.f90.o lib_xtb.a.p/src_eeq_model.f90.o lib_xtb.a.p/src_elem.f90.o lib_xtb.a.p/src_embedding.f90.o lib_xtb.a.p/src_enso_printout.f90.o lib_xtb.a.p/src_eqrot.f90.o lib_xtb.a.p/src_esp.f.o lib_xtb.a.p/src_expire.f90.o lib_xtb.a.p/src_filetools.F90.o lib_xtb.a.p/src_fixparam.f90.o lib_xtb.a.p/src_foden.f90.o lib_xtb.a.p/src_fragment.f90.o lib_xtb.a.p/src_generate_wsc.f90.o lib_xtb.a.p/src_geoopt_driver.f90.o lib_xtb.a.p/src_geosum.f90.o lib_xtb.a.p/src_getkopt.f90.o lib_xtb.a.p/src_getname.f90.o lib_xtb.a.p/src_getsymnum.f90.o lib_xtb.a.p/src_gfn0param.f90.o lib_xtb.a.p/src_gfn_paramset.f90.o lib_xtb.a.p/src_gfn_prparam.f90.o lib_xtb.a.p/src_grad_core.f90.o lib_xtb.a.p/src_header.f90.o lib_xtb.a.p/src_hessian.F90.o lib_xtb.a.p/src_hlex.f90.o lib_xtb.a.p/src_ifind.f90.o lib_xtb.a.p/src_iniq.f90.o lib_xtb.a.p/src_intgrad.f90.o lib_xtb.a.p/src_intmodes.f90.o lib_xtb.a.p/src_intpack.f90.o lib_xtb.a.p/src_lidep.f90.o lib_xtb.a.p/src_lindh.f90.o lib_xtb.a.p/src_lin.f90.o lib_xtb.a.p/src_lin_mod.f90.o lib_xtb.a.p/src_local.f90.o lib_xtb.a.p/src_locmode.f90.o lib_xtb.a.p/src_lopt.f90.o lib_xtb.a.p/src_ls_rmsd.f90.o lib_xtb.a.p/src_makel.f90.o lib_xtb.a.p/src_matinv.f90.o lib_xtb.a.p/src_mdoptim.f90.o lib_xtb.a.p/src_metadynamic.f90.o lib_xtb.a.p/src_modef.f90.o lib_xtb.a.p/src_model_hessian.f90.o lib_xtb.a.p/src_neighbor.f90.o lib_xtb.a.p/src_onetri.f90.o lib_xtb.a.p/src_optimizer.f90.o lib_xtb.a.p/src_pbc.f90.o lib_xtb.a.p/src_pbc_tools.f90.o lib_xtb.a.p/src_peeq_module.f90.o lib_xtb.a.p/src_pocketscan.f90.o lib_xtb.a.p/src_pqn.f90.o lib_xtb.a.p/src_printmold.f90.o lib_xtb.a.p/src_printout.f90.o lib_xtb.a.p/src_prmat.f90.o lib_xtb.a.p/src_pseudodiag.f90.o lib_xtb.a.p/src_qmdff.f90.o lib_xtb.a.p/src_qpot.f90.o lib_xtb.a.p/src_qsort.f90.o lib_xtb.a.p/src_rdcoord2.f90.o lib_xtb.a.p/src_read_gfn_param.f90.o lib_xtb.a.p/src_readin.f90.o lib_xtb.a.p/src_readl2.f90.o lib_xtb.a.p/src_readl.f90.o lib_xtb.a.p/src_relaxation_engine.f90.o lib_xtb.a.p/src_restart.f90.o lib_xtb.a.p/src_rmrottr.f90.o lib_xtb.a.p/src_rmsd.f90.o lib_xtb.a.p/src_scan_driver.f90.o lib_xtb.a.p/src_scanparam.f90.o lib_xtb.a.p/src_scc_core.f90.o lib_xtb.a.p/src_scf_module.f90.o lib_xtb.a.p/src_screening.f90.o lib_xtb.a.p/src_set_module.f90.o lib_xtb.a.p/src_setparam.f90.o lib_xtb.a.p/src_shake_module.f90.o lib_xtb.a.p/src_shiftlp.f90.o lib_xtb.a.p/src_single.f90.o lib_xtb.a.p/src_slater.f90.o lib_xtb.a.p/src_sphereparam.f90.o lib_xtb.a.p/src_spline2.f90.o lib_xtb.a.p/src_spline3.f90.o lib_xtb.a.p/src_splitparam.f90.o lib_xtb.a.p/src_stm.f.o lib_xtb.a.p/src_surfac.f.o lib_xtb.a.p/src_symparam.f90.o lib_xtb.a.p/src_symtranslib.f90.o lib_xtb.a.p/src_thermo.f90.o lib_xtb.a.p/src_timing.f90.o lib_xtb.a.p/src_tmgrad.f90.o lib_xtb.a.p/src_topology.f90.o lib_xtb.a.p/src_wrbas.f90.o lib_xtb.a.p/src_wrgbw.f90.o lib_xtb.a.p/src_wrmodef.f90.o lib_xtb.a.p/src_wrmo.f90.o lib_xtb.a.p/src_xhelp.f90.o lib_xtb.a.p/src_zmatpr.f90.o lib_xtb.a.p/symmetry_symmetry.f90.o lib_xtb.a.p/symmetry_symmetry_i.c.o
[501/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_submodules.f90.o -c ../src/prog/submodules.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/submodules.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/submodules.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[502/541] true
[503/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/assertion.f90.o -c ../TESTSUITE/assertion.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/assertion.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/assertion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/assertion.f90:2:21:
    2 |    use, intrinsic :: iso_fortran_env
      |                     1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
[504/541] true
[505/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_argparser.f90.o -c ../src/prog/argparser.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/argparser.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/argparser.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[506/541] true
[507/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_info.f90.o -c ../src/prog/info.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/info.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/info.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[508/541] true
[509/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/coordinationnumber.f90.o -c ../TESTSUITE/coordinationnumber.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/coordinationnumber.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[510/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_thermo.f90.o -c ../src/prog/thermo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/thermo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/prog/thermo.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/prog/thermo.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
[511/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/molstock.f90.o -c ../TESTSUITE/molstock.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/molstock.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/molstock.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[512/541] true
[513/541] true
[514/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_topology.f90.o -c ../src/prog/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/prog/topology.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/prog/topology.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
../src/prog/topology.f90:150:45:
  150 |    character(len=:), allocatable :: flag, sec
      |                                             1
Warning: Unused variable ‘sec’ declared at (1) [-Wunused-variable]
[515/541] true
[516/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/eeq.f90.o -c ../TESTSUITE/eeq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/eeq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/eeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/eeq.f90:36:21:
   36 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
../TESTSUITE/eeq.f90:146:21:
  146 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
[517/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_main.F90.o -c ../src/prog/main.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
../src/prog/main.F90:21:7:
   21 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/prog/main.F90:21:7:
   21 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
../src/prog/main.F90:116:33:
  116 |    type(chrg_parameter) :: chrgeq
      |                                 1
Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:184:22:
  184 |    logical :: epr,diff,murks
      |                      1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:173:19:
  173 |    real(wp) :: dum5,egap,etot,ipeashift
      |                   1
Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:147:45:
  147 |    real(wp),allocatable :: dumdumdum  (:,:,:)
      |                                             1
Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:184:17:
  184 |    logical :: epr,diff,murks
      |                 1
Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:183:16:
  183 |    logical :: ex,okbas
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:190:21:
  190 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:46:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                                              1
Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:144:33:
  144 |    type(TxTBParameter) :: globpar
      |                                 1
Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:188:23:
  188 |    logical :: newreader
      |                       1
Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:195:19:
  195 |    integer :: nproc
      |                   1
Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:183:22:
  183 |    logical :: ex,okbas
      |                      1
Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:194:38:
  194 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                                      1
Warning: Unused variable ‘omp_get_num_threads’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:194:58:
  194 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                                                          1
Warning: Unused variable ‘omp_get_thread_num’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:148:33:
  148 |    real(wp),allocatable :: q  (:)
      |                                 1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:149:34:
  149 |    real(wp),allocatable :: ql  (:)
      |                                  1
Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:150:34:
  150 |    real(wp),allocatable :: qr  (:)
      |                                  1
Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:22:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                      1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:25:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                         1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:194:17:
  194 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                 1
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:177:28:
  177 |    real(wp) :: vomega,vfukui
      |                            1
Warning: Unused variable ‘vfukui’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:28:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                            1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:31:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                               1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/prog/main.F90: In function ‘__xtb_prog_main_MOD_xtbmain’:
../src/prog/main.F90:717: warning: ‘ip’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  717 |       vomega=(ip+ea)**2/(8*(ip-ea))
      | 
[518/541] true
[519/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_primary.f90.o -c ../src/prog/primary.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/primary.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/primary.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[520/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/eeq_model.f90.o -c ../TESTSUITE/eeq_model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/eeq_model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/eeq_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/eeq_model.f90:185:35:
  185 |    real(wp),allocatable :: fgb(:,:),fhb(:)
      |                                   1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../TESTSUITE/eeq_model.f90:185:42:
  185 |    real(wp),allocatable :: fgb(:,:),fhb(:)
      |                                          1
Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable]
[521/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/dftd3.f90.o -c ../TESTSUITE/dftd3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/dftd3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/dftd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/dftd3.f90:74:32:
   74 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:262:32:
  262 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:259:53:
  259 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:455:32:
  455 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:452:53:
  452 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:633:32:
  633 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:630:53:
  630 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
[522/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/coulomb.f90.o -c ../TESTSUITE/coulomb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/coulomb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/coulomb.f90:51:18:
   51 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:222:18:
  222 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:398:18:
  398 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:660:18:
  660 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:860:18:
  860 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:1141:18:
 1141 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:1304:18:
 1304 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:1478:18:
 1478 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
[523/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/dftd4.f90.o -c ../TESTSUITE/dftd4.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/dftd4.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/dftd4.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/dftd4.f90:81:32:
   81 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:298:32:
  298 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:295:53:
  295 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:523:58:
  523 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                                          1
Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:523:45:
  523 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                             1
Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:515:32:
  515 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:523:32:
  523 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:512:53:
  512 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:708:58:
  708 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                                          1
Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:708:45:
  708 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                             1
Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:700:32:
  700 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:708:32:
  708 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:697:53:
  697 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
[524/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/geometry_reader.f90.o -c ../TESTSUITE/geometry_reader.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/geometry_reader.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/geometry_reader.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/geometry_reader.f90:345:28:
  345 |    type(TEnvironment) :: env
      |                            1
Warning: Unused variable ‘env’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:346:18:
  346 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:343:19:
  343 |    integer :: iunit
      |                   1
Warning: Unused variable ‘iunit’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:344:25:
  344 |    type(TMolecule) :: mol
      |                         1
Warning: Unused variable ‘mol’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:402:28:
  402 |    type(TEnvironment) :: env
      |                            1
Warning: Unused variable ‘env’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:403:18:
  403 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:400:19:
  400 |    integer :: iunit
      |                   1
Warning: Unused variable ‘iunit’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:401:25:
  401 |    type(TMolecule) :: mol
      |                         1
Warning: Unused variable ‘mol’ declared at (1) [-Wunused-variable]
[525/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn0.f90.o -c ../TESTSUITE/gfn0.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfn0.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/gfn0.f90:63:37:
   63 |    logical  :: okpar,okbas,exist,diff
      |                                     1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
[526/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn1.f90.o -c ../TESTSUITE/gfn1.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfn1.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfn1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/gfn1.f90:56:31:
   56 |    logical  :: okpar,okbas,diff,exitRun
      |                               1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfn1.f90:514:29:
  514 |    type(tb_pcem)      :: pcem
      |                             1
Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfn1.f90:522:26:
  522 |    real(wp) :: stress(3,3)
      |                          1
Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable]
[527/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn2.f90.o -c ../TESTSUITE/gfn2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfn2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[528/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/latticepoint.f90.o -c ../TESTSUITE/latticepoint.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/latticepoint.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/latticepoint.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[529/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/pbc_tools.f90.o -c ../TESTSUITE/pbc_tools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/pbc_tools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/pbc_tools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[530/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/peeq.f90.o -c ../TESTSUITE/peeq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/peeq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/peeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/peeq.f90:111:13:
  111 |    wfn%nel = idint(sum(mol%z)) - mol%chrg
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../TESTSUITE/peeq.f90:72:25:
   72 |    logical  :: okbas,diff
      |                         1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
[531/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/repulsion.f90.o -c ../TESTSUITE/repulsion.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/repulsion.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/repulsion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/repulsion.f90:49:18:
   49 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/repulsion.f90:183:18:
  183 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
[532/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/symmetry.f90.o -c ../TESTSUITE/symmetry.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/symmetry.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/symmetry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[533/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tests_peeq.f90.o -c ../TESTSUITE/tests_peeq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/tests_peeq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/tests_peeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/tests_peeq.f90:8:7:
    8 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../TESTSUITE/tests_peeq.f90:8:7:
    8 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
../TESTSUITE/tests_peeq.f90:18:19:
   18 |    integer  :: idum,nargs
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../TESTSUITE/tests_peeq.f90:17:21:
   17 |    integer  :: testid
      |                     1
Warning: Unused variable ‘testid’ declared at (1) [-Wunused-variable]
[534/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfnff.f90.o -c ../TESTSUITE/gfnff.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfnff.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfnff.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/gfnff.f90:47:20:
   47 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:44:38:
   44 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:45:19:
   45 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:132:20:
  132 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:129:38:
  129 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:130:19:
  130 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:219:20:
  219 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:216:38:
  216 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:217:19:
  217 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
[535/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tbdef_atomlist.f90.o -c ../TESTSUITE/tbdef_atomlist.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/tbdef_atomlist.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/tbdef_atomlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[536/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/thermo.f90.o -c ../TESTSUITE/thermo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/thermo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/thermo.f90:33:38:
   33 |    real(wp) :: eval3(3), coord3(3,nat)
      |                                      1
Warning: Unused variable ‘coord3’ declared at (1) [-Wunused-variable]
../TESTSUITE/thermo.f90:33:23:
   33 |    real(wp) :: eval3(3), coord3(3,nat)
      |                       1
Warning: Unused variable ‘eval3’ declared at (1) [-Wunused-variable]
../TESTSUITE/thermo.f90:208:19:
  208 |    real(wp) :: etot, htot, gtot
      |                   1
Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable]
[537/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tbdef_molecule.f90.o -c ../TESTSUITE/tbdef_molecule.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/tbdef_molecule.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/tbdef_molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[538/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tbdef_wsc.f90.o -c ../TESTSUITE/tbdef_wsc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/tbdef_wsc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/tbdef_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[539/541] gcc  -o libxtb.so.6.3.3  -Wl,--as-needed -Wl,--no-undefined -shared -fPIC -Wl,--start-group -Wl,-soname,libxtb.so.6 -Wl,--whole-archive lib_xtb.a -Wl,--no-whole-archive -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -lflexiblas -fopenmp -pthread -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group
lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch]
../src/mctc/blas/level3.f90:808: note: type mismatch in parameter 14
  808 |    call blas_gemm(tra, trb, m, n, k, a, amat, lda, bmat, ldb, b, cmat, ldc)
      | 
../src/mctc/blas/level3.f90:808: note: type ‘long int’ should match type ‘int’
../src/mctc/blas/level3.f90:808: note: ‘dgemm’ was previously declared here
../src/mctc/blas/level3.f90:808: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:482: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  482 |          call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond)
      | 
../src/fragment.f90:72: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      | 
../src/fragment.f90:72: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:483: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  483 |          call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec)
      | 
../src/fragment.f90:18: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      | 
../src/fragment.f90:18: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/constrain_pot.f90:360: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch]
  360 |          call constrpot(fix,n,at,xyz,gr,e)
      | 
../src/constr.f90:158: note: type mismatch in parameter 6
  158 | subroutine constrpot(nat,at,xyz,g,e)
      | 
../src/constr.f90:158: note: ‘constrpot’ was previously declared here
../src/constr.f90:158: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
[540/541] gfortran  -o xtb xtb.p/src_prog_argparser.f90.o xtb.p/src_prog_info.f90.o xtb.p/src_prog_main.F90.o xtb.p/src_prog_primary.f90.o xtb.p/src_prog_submodules.f90.o xtb.p/src_prog_thermo.f90.o xtb.p/src_prog_topology.f90.o -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -Wl,--start-group lib_xtb.a -lflexiblas -fopenmp -pthread -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group
lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch]
../src/mctc/blas/level3.f90:808: note: type mismatch in parameter 14
  808 |    call blas_gemm(tra, trb, m, n, k, a, amat, lda, bmat, ldb, b, cmat, ldc)
      | 
../src/mctc/blas/level3.f90:808: note: type ‘long int’ should match type ‘int’
../src/mctc/blas/level3.f90:808: note: ‘dgemm’ was previously declared here
../src/mctc/blas/level3.f90:808: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:482: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  482 |          call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond)
      | 
../src/fragment.f90:72: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      | 
../src/fragment.f90:72: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:483: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  483 |          call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec)
      | 
../src/fragment.f90:18: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      | 
../src/fragment.f90:18: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/constrain_pot.f90:360: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch]
  360 |          call constrpot(fix,n,at,xyz,gr,e)
      | 
../src/constr.f90:158: note: type mismatch in parameter 6
  158 | subroutine constrpot(nat,at,xyz,g,e)
      | 
../src/constr.f90:158: note: ‘constrpot’ was previously declared here
../src/constr.f90:158: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/prog/main.F90:1141: warning: type of ‘help’ does not match original declaration [-Wlto-type-mismatch]
 1141 |          call help(env%unit)
      | 
../src/xhelp.f90:69: note: type mismatch in parameter 1
   69 | subroutine help
      | 
../src/xhelp.f90:69: note: ‘help’ was previously declared here
[541/541] gfortran  -o TESTSUITE/xtb_test TESTSUITE/xtb_test.p/assertion.f90.o TESTSUITE/xtb_test.p/molstock.f90.o TESTSUITE/xtb_test.p/coordinationnumber.f90.o TESTSUITE/xtb_test.p/coulomb.f90.o TESTSUITE/xtb_test.p/eeq.f90.o TESTSUITE/xtb_test.p/eeq_model.f90.o TESTSUITE/xtb_test.p/dftd3.f90.o TESTSUITE/xtb_test.p/dftd4.f90.o TESTSUITE/xtb_test.p/geometry_reader.f90.o TESTSUITE/xtb_test.p/gfn0.f90.o TESTSUITE/xtb_test.p/gfn1.f90.o TESTSUITE/xtb_test.p/gfn2.f90.o TESTSUITE/xtb_test.p/gfnff.f90.o TESTSUITE/xtb_test.p/latticepoint.f90.o TESTSUITE/xtb_test.p/pbc_tools.f90.o TESTSUITE/xtb_test.p/peeq.f90.o TESTSUITE/xtb_test.p/repulsion.f90.o TESTSUITE/xtb_test.p/symmetry.f90.o TESTSUITE/xtb_test.p/tests_peeq.f90.o TESTSUITE/xtb_test.p/thermo.f90.o TESTSUITE/xtb_test.p/tbdef_atomlist.f90.o TESTSUITE/xtb_test.p/tbdef_molecule.f90.o TESTSUITE/xtb_test.p/tbdef_wsc.f90.o -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -Wl,--start-group lib_xtb.a -lflexiblas -fopenmp -pthread -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group
../src/main/property.f90:482: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  482 |          call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond)
      | 
../src/fragment.f90:72: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      | 
../src/fragment.f90:72: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:483: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  483 |          call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec)
      | 
../src/fragment.f90:18: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      | 
../src/fragment.f90:18: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/constrain_pot.f90:360: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch]
  360 |          call constrpot(fix,n,at,xyz,gr,e)
      | 
../src/constr.f90:158: note: type mismatch in parameter 6
  158 | subroutine constrpot(nat,at,xyz,g,e)
      | 
../src/constr.f90:158: note: ‘constrpot’ was previously declared here
../src/constr.f90:158: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../TESTSUITE/tests_peeq.f90:36: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch]
   36 |       call raise('E',"Please give the tester a test to run!")
      | 
../src/mctc/error.f90:18: note: type mismatch in parameter 3
   18 | subroutine raise(mode,message,code)
      | 
../src/mctc/error.f90:18: note: ‘raise’ was previously declared here
../src/mctc/error.f90:18: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch]
../TESTSUITE/eeq.f90:249: note: type mismatch in parameter 14
  249 |          mol%lattice(:, :) = matmul(eps, lattice)
      | 
../TESTSUITE/eeq.f90:249: note: type ‘long int’ should match type ‘int’
../TESTSUITE/eeq.f90:249: note: ‘dgemm’ was previously declared here
../TESTSUITE/eeq.f90:249: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
Found runner: ['/usr/bin/ninja']
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.unG2jF
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64 '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
++ dirname /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
+ cd xtb-6.3.3
+ DESTDIR=/builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
+ /usr/bin/meson install -C riscv64-redhat-linux-gnu --no-rebuild
Installing libxtb.so.6.3.3 to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64
Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64
Installing xtb to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/bin
Installing /builddir/build/BUILD/xtb-6.3.3/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/include/
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/xtb.1 to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/man/man1
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/xcontrol.7 to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/man/man7
Installing /builddir/build/BUILD/xtb-6.3.3/param_gfn0-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/param_gfn2-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/param_gfn1-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/param_ipea-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/config_env.bash to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/config_env.csh to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/xtb.pc to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/pkgconfig
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/xtb.tcl to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/modules/modulefiles/xtb
+ rm /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/libxtb.a
+ rm -rf /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/modules
+ mkdir -p /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/etc/profile.d
+ cat
+ cat
+ /usr/lib/rpm/find-debuginfo.sh -j4 --strict-build-id -m -i --build-id-seed 6.3.3-1.fc33 --unique-debug-suffix -6.3.3-1.fc33.riscv64 --unique-debug-src-base xtb-6.3.3-1.fc33.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.3.3
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/bin/xtb
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/libxtb.so.6.3.3
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/bin/xtb
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/libxtb.so.6.3.3
original debug info size: 36112kB, size after compression: 34080kB
/usr/lib/rpm/sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match.
cpio: riscv64-redhat-linux-gnu/param_alpb_acetone.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_acetonitrile.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_aniline.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_benzaldehyde.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_benzene.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_ch2cl2.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_chcl3.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_cs2.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_dioxane.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_dmf.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_dmso.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_ether.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_ethylacetate.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_furane.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_hexadecane.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_hexane.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_nitromethane.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_octanol.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_phenol.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_thf.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_toluene.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_water.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_alpb_woctanol.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_acetone.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_acetonitrile.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_benzene.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_ch2cl2.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_chcl3.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_cs2.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_dmf.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_dmso.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_ether.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_h2o.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_methanol.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_nhexan.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_thf.fh: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_toluene.fh: Cannot stat: No such file or directory
11114 blocks
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0
+ /usr/lib/rpm/brp-python-hardlink
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
mangling shebang in /usr/share/xtb/config_env.bash from /bin/bash to #!/usr/bin/bash
mangling shebang in /usr/share/xtb/config_env.csh from /bin/csh to #!/usr/bin/csh
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.Xn0ZKH
+ umask 022
+ cd /builddir/build/BUILD
BASH=/bin/sh
BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath
BASH_ALIASES=()
BASH_ARGC=()
BASH_ARGV=()
BASH_CMDS=()
BASH_LINENO=([0]="0")
BASH_SOURCE=([0]="/var/tmp/rpm-tmp.Xn0ZKH")
BASH_VERSINFO=([0]="5" [1]="0" [2]="17" [3]="1" [4]="release" [5]="riscv64-redhat-linux-gnu")
BASH_VERSION='5.0.17(1)-release'
CONFIG_SITE=NONE
DIRSTACK=()
EUID=987
GROUPS=()
HISTCONTROL=ignoredups
HISTSIZE=1000
HOME=/builddir
HOSTNAME=
HOSTTYPE=riscv64
IFS=' 	
'
LANG=C
LOGNAME=mockbuild
MACHTYPE=riscv64-redhat-linux-gnu
MAIL=/var/spool/mail/mockbuild
OLDPWD=/builddir/build/BUILD
OPTERR=1
OPTIND=1
OSTYPE=linux-gnu
PATH=/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin
PIPESTATUS=([0]="0")
PKG_CONFIG_PATH=:/usr/lib64/pkgconfig:/usr/share/pkgconfig
POSIXLY_CORRECT=y
PPID=136685
PROMPT_COMMAND='printf "\033]0;<mock-chroot>\007"'
PS4='+ '
PWD=/builddir/build/BUILD/xtb-6.3.3
RPM_ARCH=riscv64
RPM_BUILD_DIR=/builddir/build/BUILD
RPM_BUILD_NCPUS=4
RPM_BUILD_ROOT=/builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
RPM_DOC_DIR=/usr/share/doc
RPM_LD_FLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
RPM_OPT_FLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
RPM_OS=linux
RPM_PACKAGE_NAME=xtb
+ cd xtb-6.3.3
+ set
++ hostname
+ export HOSTNAME=fedora-riscv-7.gcc163.osuosl.org
+ HOSTNAME=fedora-riscv-7.gcc163.osuosl.org
+ /usr/bin/meson test -C riscv64-redhat-linux-gnu --num-processes 4 --print-errorlogs
RPM_PACKAGE_RELEASE=1.fc33
RPM_PACKAGE_VERSION=6.3.3
RPM_SOURCE_DIR=/builddir/build/SOURCES
SHELL=/bin/bash
SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix:xtrace
SHLVL=1
SOURCE_DATE_EPOCH=1600300800
TERM=vt100
UID=987
USER=mockbuild
_=xtb-6.3.3
ninja: Entering directory `/builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu'
[1/500] Dep hack
[2/500] Dep hack
[3/449] Dep hack
[4/449] Dep hack
[5/448] Dep hack
[6/448] Dep hack
[7/448] Dep hack
[8/448] Dep hack
[9/448] Dep hack
[10/448] Dep hack
[11/448] Dep hack
[12/447] Dep hack
[13/447] Dep hack
[14/447] Dep hack
[15/446] Dep hack
[16/446] Dep hack
[17/445] Dep hack
[18/445] Dep hack
[19/445] Dep hack
[20/445] Dep hack
[21/445] Dep hack
[22/445] Dep hack
[23/444] Dep hack
[24/443] Dep hack
[25/442] Dep hack
[26/442] Dep hack
[27/442] Dep hack
[28/442] Dep hack
[29/440] Dep hack
[30/440] Dep hack
[31/433] Dep hack
[32/433] Dep hack
[33/433] Dep hack
[34/433] Dep hack
[35/433] Dep hack
[36/433] Dep hack
[37/433] Dep hack
[38/423] Dep hack
[39/417] Dep hack
[40/417] Dep hack
[41/417] Dep hack
[42/417] Dep hack
[43/417] Dep hack
[44/417] Dep hack
[45/416] Dep hack
[46/416] Dep hack
[47/416] Dep hack
[48/416] Dep hack
[49/415] Dep hack
[50/415] Dep hack
[51/413] Dep hack
[52/410] Dep hack
[53/409] Dep hack
[54/409] Dep hack
[55/408] Dep hack
[56/408] Dep hack
[57/407] Dep hack
[58/407] Dep hack
[59/405] Dep hack
[60/405] Dep hack
[61/397] Dep hack
[62/397] Dep hack
[63/397] Dep hack
[64/396] Dep hack
[65/393] Dep hack
[66/393] Dep hack
[67/393] Dep hack
[68/392] Dep hack
[69/392] Dep hack
[70/392] Dep hack
[71/389] Dep hack
[72/388] Dep hack
[73/388] Dep hack
[74/388] Dep hack
[75/387] Dep hack
[76/387] Dep hack
[77/387] Dep hack
[78/387] Dep hack
[79/386] Dep hack
[80/386] Dep hack
[81/386] Dep hack
[82/386] Dep hack
[83/386] Dep hack
[84/386] Dep hack
[85/385] Dep hack
[86/377] Dep hack
[87/371] Dep hack
[88/370] Dep hack
[89/369] Dep hack
[90/369] Dep hack
[91/369] Dep hack
[92/368] Dep hack
[93/367] Dep hack
[94/367] Dep hack
[95/367] Dep hack
[96/367] Dep hack
[97/366] Dep hack
[98/364] Dep hack
[99/363] Dep hack
[100/362] Dep hack
[101/362] Dep hack
[102/361] Dep hack
[103/361] Dep hack
[104/361] Dep hack
[105/361] Dep hack
[106/361] Dep hack
[107/361] Dep hack
[108/361] Dep hack
[109/360] Dep hack
[110/360] Dep hack
[111/360] Dep hack
[112/360] Dep hack
[113/357] Dep hack
[114/356] Dep hack
[115/356] Dep hack
[116/355] Dep hack
[117/355] Dep hack
[118/355] Dep hack
[119/355] Dep hack
[120/355] Dep hack
[121/331] Dep hack
[122/330] Dep hack
[123/329] Dep hack
[124/329] Dep hack
[125/329] Dep hack
[126/328] Dep hack
[127/327] Dep hack
[128/317] Dep hack
[129/313] Dep hack
[130/313] Dep hack
[131/312] Dep hack
[132/312] Dep hack
[133/312] Dep hack
[134/312] Dep hack
[135/312] Dep hack
[136/312] Dep hack
[137/312] Dep hack
[138/312] Dep hack
[139/312] Dep hack
[140/312] Dep hack
[141/312] Dep hack
[142/312] Dep hack
[143/312] Dep hack
[144/311] Dep hack
[145/310] Dep hack
[146/309] Dep hack
[147/307] Dep hack
[148/307] Dep hack
[149/306] Dep hack
[150/305] Dep hack
[151/305] Dep hack
[152/305] Dep hack
[153/305] Dep hack
[154/304] Dep hack
[155/303] Dep hack
[156/303] Dep hack
[157/300] Dep hack
[158/300] Dep hack
[159/300] Dep hack
[160/300] Dep hack
[161/300] Dep hack
[162/299] Dep hack
[163/299] Dep hack
[164/299] Dep hack
[165/291] Dep hack
[166/291] Dep hack
[167/290] Dep hack
[168/290] Dep hack
[169/290] Dep hack
[170/290] Dep hack
[171/290] Dep hack
[172/290] Dep hack
[173/290] Dep hack
[174/290] Dep hack
[175/289] Dep hack
[176/288] Dep hack
[177/288] Dep hack
[178/288] Dep hack
[179/287] Dep hack
[180/282] Dep hack
[181/281] Dep hack
[182/277] Dep hack
[183/277] Dep hack
[184/277] Dep hack
[185/276] Dep hack
[186/276] Dep hack
[187/273] Dep hack
[188/273] Dep hack
[189/272] Dep hack
[190/272] Dep hack
[191/272] Dep hack
[192/270] Dep hack
[193/266] Dep hack
[194/266] Dep hack
[195/265] Dep hack
[196/264] Dep hack
[197/263] Dep hack
[198/263] Dep hack
[199/261] Dep hack
[200/259] Dep hack
[201/258] Dep hack
[202/256] Dep hack
[203/255] Dep hack
[204/254] Dep hack
[205/253] Dep hack
[206/253] Dep hack
[207/246] Dep hack
[208/242] Dep hack
[209/226] Dep hack
[210/222] Dep hack
[211/222] Dep hack
[212/217] Dep hack
[213/217] Dep hack
[214/217] Dep hack
[215/217] Dep hack
 1/96 Argparser: print version  OK             1.11s
 2/96 Argparser: print help     OK             1.14s
 3/96 Argparser: print license  OK             1.32s
 4/96 Argparser: no arguments   EXPECTEDFAIL   1.80s
 5/96 Info                      OK             1.58s
 6/96 Singlepoint               OK             23.78s
 7/96 Geometry opt.             OK             125.98s
 8/96 IP/EA                     FAIL           565.80s (exit status 1)
 9/96 GFN0-xTB                  OK             7.95s
10/96 GFN1-xTB                  OK             30.94s
11/96 GFN2-xTB/GBSA             OK             20.41s
12/96 GFN-FF                    OK             2.86s
13/96 Molecule: axis            OK             1.04s
14/96 Molecule: MIC             OK             0.93s
15/96 Lattice points: PBC-3D    OK             0.79s
16/96 Wigner-Seitz Cell (3D)    OK             0.98s
17/96 coord 3D                  OK             0.92s
18/96 coord 3D                  OK             1.09s
19/96 coord 2D                  SKIP           1.06s
20/96 coord 1D                  SKIP           0.92s
21/96 coord 0D                  OK             0.81s
22/96 Xmol  0D                  OK             1.13s
23/96 POSCAR                    OK             1.17s
24/96 molfile                   OK             1.26s
25/96 molfile flat              OK             0.94s
26/96 SDF                       OK             0.88s
27/96 SDF flat                  OK             0.77s
28/96 SDF no H                  EXPECTEDFAIL   1.66s
29/96 PDB                       OK             1.27s
30/96 PDB no H                  EXPECTEDFAIL   2.08s
31/96 genFormat                 OK             0.89s
32/96 PBC tools: convert        OK             0.89s
33/96 PBC tools: cutoff         OK             0.79s
34/96 Symmetry: Water           OK             0.93s
35/96 Symmetry: Li8             OK             0.80s
36/96 Symmetry: PCl3            OK             1.01s
37/96 Symmetry: large           OK             17.11s
38/96 Thermo: axis              OK             1.15s
39/96 Thermo: calculation       OK             1.01s
40/96 Thermo: print             OK             1.17s
41/96 Repulsion: 0D             OK             2.75s
42/96 Repulsion: 3D             OK             65.96s
43/96 Coulomb: point (0D)       OK             1.25s
44/96 Coulomb: point (3D)       OK             41.02s
45/96 Coulomb: GFN1 (0D)        OK             8.32s
46/96 Coulomb: GFN1 (3D)        OK             54.01s
47/96 Coulomb: GFN2 (0D)        OK             5.33s
48/96 Coulomb: GFN2 (3D)        OK             69.95s
49/96 Coulomb: Gauss. (0D)      OK             1.73s
50/96 Coulomb: Gauss. (3D)      OK             43.67s
51/96 EEQ model: water          OK             1.24s
52/96 EEQ model: 3D Ewald       OK             7.89s
53/96 EEQ model: GBSA           OK             1.25s
54/96 EEQ model: GBSA (salt)    OK             1.22s
55/96 EEQ model: GBSA (H-bond)  SKIP           1.05s
56/96 CN: latticepoints         OK             3.48s
57/96 CN: neighbourlist         OK             3.97s
58/96 DFT-D3: latticepoints     OK             60.59s
59/96 DFT-D3: neighbourlist     OK             21.40s
60/96 DFT-D3: threebody (LP)    OK             11.48s
61/96 DFT-D3: threebody (NL)    OK             12.02s
62/96 DFT-D4: latticepoints     OK             66.39s
63/96 DFT-D4: neighbourlist     OK             39.11s
64/96 DFT-D4: threebody (LP)    OK             12.65s
65/96 DFT-D4: threebody (NL)    OK             12.73s
66/96 GFN2-xTB: Basic           FAIL           51.83s (exit status 1)
67/96 GFN2-xTB: Solvation       FAIL           69.46s (exit status 1)
68/96 GFN2-xTB: SCC             OK             2.01s
69/96 GFN2-xTB: API             OK             3.39s
70/96 GFN2-xTB: API (GBSA)      OK             7.69s
71/96 GFN2-xTB: API (GBSA+salt) OK             3.76s
72/96 GFN2-xTB: d-Metal         OK             29.01s
73/96 GFN1-xTB: Basic           FAIL           62.50s (exit status 1)
74/96 GFN1-xTB: Solvation       FAIL           34.73s (exit status 1)
75/96 GFN1-xTB: SCC             OK             1.96s
76/96 GFN1-xTB: API             OK             3.72s
77/96 GFN1-xTB: XB              OK             5.26s
78/96 GFN1-xTB: PBC             OK             42.79s
79/96 GFN1-xTB: API (GBSA)      OK             2.97s
80/96 GFN1-xTB: API (PCEM)      OK             6.03s
81/96 GFN0-xTB: Basic           OK             31.00s
82/96 GFN0-xTB: Solvation       OK             33.02s
83/96 GFN0-xTB: SP              OK             3.46s
84/96 GFN0-xTB: API             OK             2.56s
85/96 GFN0-xTB: SRB             OK             4.87s
86/96 GFN0-xTB: SP  (PBC)       OK             2.74s
87/96 GFN0-xTB: API (PBC)       OK             3.17s
88/96 GFN0-xTB: SRB (PBC)       OK             14.85s
89/96 GFN-FF: Basic             OK             5.11s
90/96 GFN-FF: Solvation         OK             5.80s
91/96 GFN-FF: SP                OK             1.36s
92/96 GFN-FF: HB                OK             1.40s
93/96 GFN-FF: GBSA              OK             1.43s
94/96 GFN-FF: Scale-up          OK             12.90s
95/96 GFN-FF: PDB               OK             5.85s
96/96 GFN-FF: SDF               OK             2.34s
Ok:                 85  
Expected Fail:      3   
Fail:               5   
Unexpected Pass:    0   
Skipped:            3   
Timeout:            0   
The output from the failed tests:
 8/96 IP/EA                     FAIL           565.80s (exit status 1)
--- command ---
16:52:49 LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu' XTBPATH='/builddir/build/BUILD/xtb-6.3.3' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.3/python' /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/xtb --coffee --gfn 2 --vipea --strict --norestart --namespace test3
--- Listing only the last 100 lines from a long log. ---
 214     -5.2199463 -0.119286E+00  0.216E+01    0.26       1.0  T
 215     -4.6991537  0.520793E+00  0.218E+01    0.10       1.0  T
 216     -4.8399831 -0.140829E+00  0.217E+01    0.08       1.0  T
 217     -4.7885660  0.514171E-01  0.218E+01    0.23       1.0  T
 218     -4.4216158  0.366950E+00  0.219E+01    0.49       1.0  T
 219     -3.8297307  0.591885E+00  0.220E+01    0.30       1.0  T
 220     -3.4931738  0.336557E+00  0.222E+01    0.73       1.0  T
 221     -3.5301080 -0.369342E-01  0.222E+01    0.76       1.0  T
 222     -2.4150190  0.111509E+01  0.225E+01    0.53       1.0  T
 223     -1.0310148  0.138400E+01  0.227E+01    0.64       1.0  T
 224     -1.3626930 -0.331678E+00  0.226E+01    0.61       1.0  T
 225     -0.9663261  0.396367E+00  0.227E+01    0.77       1.0  T
 226     -0.6311246  0.335202E+00  0.230E+01    1.14       1.0  T
 227     -1.0200536 -0.388929E+00  0.230E+01    1.10       1.0  T
 228     -1.6051482 -0.585095E+00  0.229E+01    1.09       1.0  T
 229     -1.6631007 -0.579525E-01  0.230E+01    1.06       1.0  T
 230     -1.7280771 -0.649764E-01  0.230E+01    1.09       1.0  T
 231     -2.0609271 -0.332850E+00  0.229E+01    1.06       1.0  T
 232     -4.5214647 -0.246054E+01  0.233E+01    0.15       1.0  T
 233     -3.7358002  0.785665E+00  0.236E+01    0.15       1.0  T
 234     -3.7300379  0.576230E-02  0.236E+01    0.14       1.0  T
 235     -4.9916206 -0.126158E+01  0.237E+01    0.35       1.0  T
 236     -4.8894120  0.102209E+00  0.238E+01    0.58       1.0  T
 237     -5.5892085 -0.699796E+00  0.238E+01    0.73       1.0  T
 238     -4.5247431  0.106447E+01  0.239E+01    0.84       1.0  T
 239     -4.7824978 -0.257755E+00  0.241E+01    1.19       1.0  T
 240     -1.4568819  0.332562E+01  0.244E+01    0.84       1.0  T
 241     -2.0394169 -0.582535E+00  0.248E+01    1.04       1.0  T
 242     -2.3956026 -0.356186E+00  0.248E+01    0.75       1.0  T
 243     -2.6132353 -0.217633E+00  0.248E+01    0.38       1.0  T
 244     -2.1797339  0.433501E+00  0.249E+01    0.25       1.0  T
 245     -2.8698188 -0.690085E+00  0.248E+01    0.35       1.0  T
 246     -2.9534326 -0.836138E-01  0.248E+01    0.32       1.0  T
 247     -2.8493666  0.104066E+00  0.248E+01    0.32       1.0  T
 248     -3.0944746 -0.245108E+00  0.248E+01    0.44       1.0  T
 249     -3.0999611 -0.548656E-02  0.248E+01    0.42       1.0  T
 250     -2.6805767  0.419384E+00  0.252E+01    0.46       1.0  T
   *** convergence criteria cannot be satisfied within 250 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000          -13.2711432            -361.1262
       ...           ...                  ...                  ...
        32        2.0000            0.0531801               1.4471
        33        2.0000            0.1241228               3.3776
        34        2.0000            0.1286956               3.5020
        35        2.0000            0.1379151               3.7529
        36        2.0000            0.1715076               4.6670
        37        2.0000            0.1730167               4.7080
        38        0.9999            0.2442451               6.6462 (HOMO)
        39        0.0001            0.2612862               7.1100 (LUMO)
        40                          0.3241472               8.8205
        41                          0.3271304               8.9017
        42                          0.4123297              11.2201
        43                          0.4159200              11.3178
       ...                                ...                  ...
        66                         15.7856971             429.5507
      -------------------------------------------------------------
                  HL-Gap            0.0170411 Eh            0.4637 eV
             Fermi-level            0.2306983 Eh            6.2776 eV
 SCC (total)                   0 d,  0 h,  8 min, 20.159 sec
 SCC setup                      ...        0 min,  0.014 sec (  0.003%)
 Dispersion                     ...        0 min,  0.010 sec (  0.002%)
 classical contributions        ...        0 min,  0.007 sec (  0.001%)
 integral evaluation            ...        0 min,  0.726 sec (  0.145%)
 iterations                     ...        8 min, 18.670 sec ( 99.702%)
 molecular gradient             ...        0 min,  0.683 sec (  0.137%)
 printout                       ...        0 min,  0.047 sec (  0.009%)
------------------------------------------------------------------------
empirical EA shift (eV):    4.8455
delta SCC EA (eV):-1092.1910
------------------------------------------------------------------------
########################################################################
[ERROR] Program stopped due to fatal error
-3- Calculation terminated
-2- xtb_calculator_singlepoint: Electronic structure method terminated
-1- scf: Self consistent charge iterator did not converge
########################################################################
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fbf69e4bf in ???
#1  0x3fbf69edd3 in ???
#2  0x3fbf69fbbb in ???
#3  0x2ac47b099b in terminate_
	at ../src/mctc/error.f90:65
#4  0x2ac489675d in __xtb_prog_main_MOD_xtbmain.constprop.0
	at ../src/prog/main.F90:779
#5  0x2ac4797a87 in xtb_prog_primary
	at ../src/prog/primary.f90:55
#6  0x2ac4797a87 in main
	at ../src/prog/primary.f90:20
abnormal termination of xtb
-------
66/96 GFN2-xTB: Basic           FAIL           51.83s (exit status 1)
--- command ---
16:57:10 LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu' XTBPATH='/builddir/build/BUILD/xtb-6.3.3' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.3/python' /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn2 basic
--- Listing only the last 100 lines from a long log. ---
  11    -24.1772083 -0.379283E-04  0.239E-01    1.25       1.0  T
  12    -24.1773482 -0.139913E-03  0.146E-01    1.24       1.0  T
  13    -24.1774486 -0.100308E-03  0.644E-02    1.25       1.0  T
  14    -23.8108295  0.366619E+00  0.476E+00    1.24       1.0  T
  15    -24.1774536 -0.366624E+00  0.320E-02    1.25       1.0  T
  16    -24.1774568 -0.319706E-05  0.128E-02    1.24       2.0  T
  17    -24.1774573 -0.436431E-06  0.800E-03    1.25       3.1  T
  18    -24.1774573 -0.131958E-07  0.744E-03    1.25       3.4  T
  19    -24.1774573  0.725573E-08  0.776E-03    1.25       3.2  T
  20    -24.1774573 -0.123883E-07  0.747E-03    1.25       3.3  T
  21    -24.1774573 -0.417230E-08  0.746E-03    1.25       3.4  T
  22    -24.1774573  0.377806E-08  0.757E-03    1.25       3.3  T
  23    -24.1774573 -0.155948E-08  0.754E-03    1.25       3.3  T
  24    -24.1774573  0.662119E-10  0.753E-03    1.25       3.3  T
  25    -24.1774573  0.229676E-09  0.753E-03    1.25       3.3  T
  26    -24.1774573 -0.174182E-09  0.751E-03    1.25       3.3  T
  27    -24.1774573 -0.118181E-08  0.742E-03    1.25       3.4  T
  28    -24.1774573 -0.132269E-08  0.725E-03    1.25       3.4  T
  29    -24.1774573 -0.172400E-07  0.554E-03    1.25       4.5  T
  30    -24.1774573 -0.161138E-07  0.318E-03    1.25       7.9  T
  31    -24.1774573 -0.758033E-08  0.521E-04    1.25      48.0  T
  32    -24.1774573 -0.199961E-09  0.663E-05    1.25     377.0  T
   *** convergence criteria satisfied after 32 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000           -0.7664043             -20.8549
       ...           ...                  ...                  ...
        17        2.0000           -0.4174756             -11.3601
        18        2.0000           -0.4140417             -11.2666
        19        2.0000           -0.3998309             -10.8800
        20        2.0000           -0.3696399             -10.0584
        21        2.0000           -0.3653557              -9.9418
        22        2.0000           -0.3623318              -9.8596
        23        1.0000           -0.2943880              -8.0107 (HOMO)
        24                         -0.2486151              -6.7652 (LUMO)
        25                         -0.2208835              -6.0105
        26                         -0.2100650              -5.7162
        27                         -0.1724990              -4.6939
        28                         -0.1528998              -4.1606
       ...                                ...                  ...
        63                          2.0251710              55.1077
      -------------------------------------------------------------
                  HL-Gap            0.0457729 Eh            1.2455 eV
             Fermi-level           -0.2999307 Eh           -8.1615 eV
 transition dipole moment (au) for excitation:          22          23
     X       Y       Z   
  -0.0743  -0.1543  -0.2613  total (au/Debye):    0.312   0.794
 dE (eV)             :    1.849
 oscillator strength :  0.62534E-02
 SCC (total)                   0 d,  0 h,  0 min, 32.476 sec
 SCC setup                      ...        0 min,  0.015 sec (  0.045%)
 Dispersion                     ...        0 min,  0.008 sec (  0.025%)
 classical contributions        ...        0 min,  0.006 sec (  0.017%)
 integral evaluation            ...        0 min,  0.649 sec (  1.998%)
 iterations                     ...        0 min, 30.019 sec ( 92.433%)
 molecular gradient             ...        0 min,  1.108 sec (  3.411%)
 printout                       ...        0 min,  0.671 sec (  2.067%)
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         ::                     SUMMARY                     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         :: total energy             -24.069929674078 Eh    ::
         :: gradient norm              0.054803620947 Eh/a0 ::
         :: HOMO-LUMO gap              1.245544890308 eV    ::
         ::.................................................::
         :: SCC energy               -24.177457346030 Eh    ::
         :: -> isotropic ES            0.202396475034 Eh    ::
         :: -> anisotropic ES         -0.010274604804 Eh    ::
         :: -> anisotropic XC         -0.004131361120 Eh    ::
         :: -> dispersion             -0.018108977171 Eh    ::
         :: repulsion energy           0.107459319267 Eh    ::
         :: add. restraining           0.000000000000 Eh    ::
         :: total charge              -0.000000000000 e     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fddfbd4bf in ???
#1  0x3fddfbddd3 in ???
#2  0x3fddfbebbb in ???
#3  0x2ad1992d19 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2ad1950d73 in test_gfn2_mindless_basic_
	at ../TESTSUITE/gfn2.f90:575
#5  0x2ad190257b in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:74
#6  0x2ad190257b in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.54803620946516E-01 ==  0.54803793033870E-01 FAILED
assertion:   1.2455448903079     ==   1.2455369848896     FAILED
abnormal termination of test
-------
67/96 GFN2-xTB: Solvation       FAIL           69.46s (exit status 1)
--- command ---
16:57:20 LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu' XTBPATH='/builddir/build/BUILD/xtb-6.3.3' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.3/python' /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn2 solvation
--- Listing only the last 100 lines from a long log. ---
  11    -23.9251975 -0.187570E+00  0.610E-01    0.16       1.0  T
  12    -23.9128151  0.123824E-01  0.154E+00    0.10       1.0  T
  13    -23.9259906 -0.131755E-01  0.295E-01    0.16       1.0  T
  14    -23.9257884  0.202204E-03  0.279E-01    0.15       1.0  T
  15    -23.9255335  0.254850E-03  0.323E-01    0.15       1.0  T
  16    -23.9255567 -0.231656E-04  0.305E-01    0.15       1.0  T
  17    -23.9259930 -0.436291E-03  0.121E-01    0.16       1.0  T
  18    -23.9260236 -0.306461E-04  0.897E-02    0.16       1.0  T
  19    -23.9260442 -0.206082E-04  0.684E-02    0.17       1.0  T
  20    -23.9260562 -0.119709E-04  0.474E-02    0.17       1.0  T
  21    -23.9260653 -0.914419E-05  0.201E-02    0.17       1.2  T
  22    -23.9260664 -0.105420E-05  0.752E-03    0.17       3.3  T
  23    -23.9260641  0.224721E-05  0.221E-02    0.17       1.1  T
  24    -23.5013047  0.424759E+00  0.876E+00    0.77       1.0  T
  25    -23.9260653 -0.424761E+00  0.158E-02    0.17       1.6  T
  26    -23.9260652  0.105391E-06  0.168E-02    0.17       1.5  T
  27    -23.9260660 -0.780188E-06  0.112E-02    0.17       2.2  T
  28    -23.9260665 -0.453770E-06  0.570E-03    0.17       4.4  T
  29    -23.9260666 -0.131414E-06  0.245E-03    0.17      10.2  T
  30    -23.9260666 -0.220086E-07  0.123E-03    0.17      20.2  T
  31    -23.9260666 -0.366011E-08  0.875E-04    0.17      28.6  T
  32    -23.9260666  0.103100E-10  0.879E-04    0.17      28.4  T
   *** convergence criteria satisfied after 32 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000           -0.7580321             -20.6271
       ...           ...                  ...                  ...
        16        2.0000           -0.4270968             -11.6219
        17        2.0000           -0.3907420             -10.6326
        18        2.0000           -0.3777709             -10.2797
        19        2.0000           -0.3636782              -9.8962
        20        2.0000           -0.3566561              -9.7051
        21        2.0000           -0.3472044              -9.4479
        22        1.9306           -0.2889233              -7.8620 (HOMO)
        23        0.0694           -0.2826042              -7.6901 (LUMO)
        24                         -0.2311955              -6.2911
        25                         -0.1976031              -5.3771
        26                         -0.1913214              -5.2061
        27                         -0.1712795              -4.6608
       ...                                ...                  ...
        61                          3.2382391              88.1170
      -------------------------------------------------------------
                  HL-Gap            0.0063191 Eh            0.1720 eV
             Fermi-level           -0.2857637 Eh           -7.7760 eV
 SCC (total)                   0 d,  0 h,  0 min, 27.843 sec
 SCC setup                      ...        0 min,  0.035 sec (  0.126%)
 Dispersion                     ...        0 min,  0.005 sec (  0.018%)
 classical contributions        ...        0 min,  0.004 sec (  0.013%)
 integral evaluation            ...        0 min,  0.483 sec (  1.735%)
 iterations                     ...        0 min, 26.064 sec ( 93.610%)
 molecular gradient             ...        0 min,  1.146 sec (  4.116%)
 printout                       ...        0 min,  0.103 sec (  0.369%)
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         ::                     SUMMARY                     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         :: total energy             -23.760000586100 Eh    ::
         :: total w/o Gsasa/hb       -23.732223711091 Eh    ::
         :: gradient norm              0.040696207766 Eh/a0 ::
         :: HOMO-LUMO gap              0.171952122752 eV    ::
         ::.................................................::
         :: SCC energy               -23.926066626397 Eh    ::
         :: -> isotropic ES            0.271590574633 Eh    ::
         :: -> anisotropic ES         -0.016016504077 Eh    ::
         :: -> anisotropic XC          0.003156681986 Eh    ::
         :: -> dispersion             -0.013439946363 Eh    ::
         :: -> Gsolv                  -0.046578434110 Eh    ::
         ::    -> Gborn               -0.018801559102 Eh    ::
         ::    -> Gsasa               -0.026921188940 Eh    ::
         ::    -> Ghb                 -0.004255051126 Eh    ::
         ::    -> Gshift               0.003399365057 Eh    ::
         :: repulsion energy           0.166005317605 Eh    ::
         :: add. restraining           0.000000000000 Eh    ::
         :: total charge              -0.000000000000 e     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fcf43d4bf in ???
#1  0x3fcf43ddd3 in ???
#2  0x3fcf43ebbb in ???
#3  0x2abc5cfd19 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2abc58f607 in test_gfn2_mindless_solvation_
	at ../TESTSUITE/gfn2.f90:665
#5  0x2abc53f587 in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:75
#6  0x2abc53f587 in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.40696207766422E-01 ==  0.40696787567357E-01 FAILED
assertion:  0.17195212275152     ==  0.17190655245380     FAILED
abnormal termination of test
-------
73/96 GFN1-xTB: Basic           FAIL           62.50s (exit status 1)
--- command ---
16:58:02 LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu' XTBPATH='/builddir/build/BUILD/xtb-6.3.3' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.3/python' /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn1 basic
--- Listing only the last 100 lines from a long log. ---
          :  max. iterations                   250          :
          :  Hamiltonian                  GFN1-xTB          :
          :  restarted?                      false          :
          :  GBSA solvation                  false          :
          :  PC potential                    false          :
          :  electronic temp.          300.0000000     K    :
          :  accuracy                    1.0000000          :
          :  -> integral cutoff          0.2500000E+02      :
          :  -> integral neglect         0.1000000E-07      :
          :  -> SCF convergence          0.1000000E-05 Eh   :
          :  -> wf. convergence          0.2000000E-04 e    :
          :  Broyden damping             0.4000000          :
          ...................................................
 iter      E             dE          RMSdq      gap      omega  full diag
   1    -24.9876439 -0.249876E+02  0.852E+00    1.79       0.0  T
   2    -25.0850005 -0.973566E-01  0.502E+00    1.67       1.0  T
   3    -24.8773885  0.207612E+00  0.134E+00    1.67       1.0  T
   4    -25.0861149 -0.208726E+00  0.619E-01    1.65       1.0  T
   5    -25.0912775 -0.516258E-02  0.293E-01    1.67       1.0  T
   6    -25.0922229 -0.945368E-03  0.139E-01    1.67       1.0  T
   7    -25.0924730 -0.250110E-03  0.443E-02    1.67       1.0  T
   8    -25.0924786 -0.557095E-05  0.181E-02    1.67       1.4  T
   9    -25.0924806 -0.199452E-05  0.744E-03    1.67       3.4  T
  10    -25.0924811 -0.559831E-06  0.191E-03    1.67      13.1  T
  11    -25.0924811 -0.650442E-08  0.590E-04    1.67      42.3  T
  12    -25.0924811 -0.402632E-08  0.331E-04    1.67      75.5  T
  13    -25.0924811 -0.166809E-08  0.633E-05    1.67     395.0  T
  14    -25.0924811 -0.387317E-10  0.639E-06    1.67    3911.8  T
   *** convergence criteria satisfied after 14 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000           -0.8242241             -22.4283
       ...           ...                  ...                  ...
        16        2.0000           -0.4632811             -12.6065
        17        2.0000           -0.4608275             -12.5398
        18        2.0000           -0.4483158             -12.1993
        19        2.0000           -0.4060595             -11.0494
        20        2.0000           -0.4039727             -10.9927
        21        2.0000           -0.3871913             -10.5360
        22        2.0000           -0.3514755              -9.5641 (HOMO)
        23                         -0.2900803              -7.8935 (LUMO)
        24                         -0.2489763              -6.7750
        25                         -0.2395311              -6.5180
        26                         -0.2342754              -6.3750
        27                         -0.1945806              -5.2948
       ...                                ...                  ...
        65                          2.0955527              57.0229
      -------------------------------------------------------------
                  HL-Gap            0.0613952 Eh            1.6706 eV
             Fermi-level           -0.3207779 Eh           -8.7288 eV
 SCC (total)                   0 d,  0 h,  0 min, 17.904 sec
 SCC setup                      ...        0 min,  0.015 sec (  0.084%)
 Dispersion                     ...        0 min,  0.007 sec (  0.038%)
 classical contributions        ...        0 min,  0.004 sec (  0.020%)
 integral evaluation            ...        0 min,  1.362 sec (  7.608%)
 iterations                     ...        0 min, 14.403 sec ( 80.446%)
 molecular gradient             ...        0 min,  2.005 sec ( 11.197%)
 printout                       ...        0 min,  0.108 sec (  0.601%)
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         ::                     SUMMARY                     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         :: total energy             -24.896623131189 Eh    ::
         :: gradient norm              0.089329501558 Eh/a0 ::
         :: HOMO-LUMO gap              1.670647472104 eV    ::
         ::.................................................::
         :: SCC energy               -25.092481127523 Eh    ::
         :: -> electrostatic           0.066975429214 Eh    ::
         :: repulsion energy           0.203804529217 Eh    ::
         :: dispersion energy         -0.007946532882 Eh    ::
         :: halogen bond corr.         0.000000000000 Eh    ::
         :: add. restraining           0.000000000000 Eh    ::
         :: total charge              -0.000000000000 e     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fd69df4bf in ???
#1  0x3fd69dfdd3 in ???
#2  0x3fd69e0bbb in ???
#3  0x2ad94ead19 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2ad949d743 in test_gfn1_mindless_basic_
	at ../TESTSUITE/gfn1.f90:639
#5  0x2ad945a54b in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:85
#6  0x2ad945a54b in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.89329501558114E-01 ==  0.89329244570940E-01 FAILED
assertion:   1.6706474721040     ==   1.6706491472352     FAILED
abnormal termination of test
-------
74/96 GFN1-xTB: Solvation       FAIL           34.73s (exit status 1)
--- command ---
16:58:11 LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu' XTBPATH='/builddir/build/BUILD/xtb-6.3.3' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.3/python' /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn1 solvation
--- Listing only the last 100 lines from a long log. ---
          :  -> wf. convergence          0.2000000E-04 e    :
          :  Broyden damping             0.4000000          :
          ...................................................
 iter      E             dE          RMSdq      gap      omega  full diag
   1    -25.7902571 -0.257903E+02  0.802E+00    0.74       0.0  T
   2    -26.9026455 -0.111239E+01  0.493E+00    1.70       1.0  T
   3    -26.9909659 -0.883204E-01  0.247E+00    1.70       1.0  T
   4    -26.9968497 -0.588385E-02  0.112E+00    1.65       1.0  T
   5    -27.0058257 -0.897595E-02  0.342E-01    1.67       1.0  T
   6    -27.0062574 -0.431730E-03  0.139E-01    1.66       1.0  T
   7    -27.0066085 -0.351125E-03  0.238E-02    1.67       1.0  T
   8    -27.0066154 -0.691246E-05  0.700E-03    1.67       3.6  T
   9    -27.0066156 -0.178013E-06  0.145E-03    1.67      17.2  T
  10    -27.0066156 -0.141780E-07  0.385E-04    1.67      65.0  T
  11    -27.0066156 -0.903217E-09  0.159E-04    1.67     157.3  T
  12    -27.0066156 -0.118636E-09  0.537E-05    1.67     465.7  T
   *** convergence criteria satisfied after 12 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000           -0.8603058             -23.4101
       ...           ...                  ...                  ...
        17        2.0000           -0.4430107             -12.0549
        18        2.0000           -0.4376871             -11.9101
        19        2.0000           -0.4271622             -11.6237
        20        2.0000           -0.4038790             -10.9901
        21        2.0000           -0.4022142             -10.9448
        22        2.0000           -0.3914458             -10.6518
        23        1.0000           -0.3261462              -8.8749 (HOMO)
        24                         -0.2647858              -7.2052 (LUMO)
        25                         -0.2249657              -6.1216
        26                         -0.2111330              -5.7452
        27                         -0.1816834              -4.9439
        28                         -0.1383236              -3.7640
       ...                                ...                  ...
        65                          1.7606321              47.9092
      -------------------------------------------------------------
                  HL-Gap            0.0613604 Eh            1.6697 eV
             Fermi-level           -0.3271310 Eh           -8.9017 eV
 transition dipole moment (au) for excitation:          22          23
     X       Y       Z   
   0.2157   0.3779   0.0506  total (au/Debye):    0.438   1.114
 dE (eV)             :    1.777
 oscillator strength :  0.11816E-01
 SCC (total)                   0 d,  0 h,  0 min, 18.605 sec
 SCC setup                      ...        0 min,  0.062 sec (  0.332%)
 Dispersion                     ...        0 min,  0.009 sec (  0.049%)
 classical contributions        ...        0 min,  0.006 sec (  0.034%)
 integral evaluation            ...        0 min,  1.689 sec (  9.078%)
 iterations                     ...        0 min, 12.926 sec ( 69.474%)
 molecular gradient             ...        0 min,  2.613 sec ( 14.045%)
 printout                       ...        0 min,  1.299 sec (  6.982%)
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         ::                     SUMMARY                     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         :: total energy             -26.890550325485 Eh    ::
         :: total w/o Gsasa/hb       -26.867156191907 Eh    ::
         :: gradient norm              0.061771762158 Eh/a0 ::
         :: HOMO-LUMO gap              1.669700128360 eV    ::
         ::.................................................::
         :: SCC energy               -27.006615619235 Eh    ::
         :: -> electrostatic           0.129463702100 Eh    ::
         :: -> Gsolv                  -0.032350135972 Eh    ::
         ::    -> Gborn               -0.008956002394 Eh    ::
         ::    -> Gsasa               -0.026940010208 Eh    ::
         ::    -> Ghb                  0.000000000000 Eh    ::
         ::    -> Gshift               0.003545876630 Eh    ::
         :: repulsion energy           0.127020036113 Eh    ::
         :: dispersion energy         -0.010954742363 Eh    ::
         :: halogen bond corr.         0.000000000000 Eh    ::
         :: add. restraining           0.000000000000 Eh    ::
         :: total charge              -0.000000000000 e     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fe93fe4bf in ???
#1  0x3fe93fedd3 in ???
#2  0x3fe93ffbbb in ???
#3  0x2ae0e68d19 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2ae0e1cfd7 in test_gfn1_mindless_solvation_
	at ../TESTSUITE/gfn1.f90:730
#5  0x2ae0dd852d in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:86
#6  0x2ae0dd852d in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.61771762157550E-01 ==  0.61771913881691E-01 FAILED
assertion:   1.6697001283598     ==   1.6696997912942     FAILED
abnormal termination of test
-------
Full log written to /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-logs/testlog.txt
RPM build errors:
error: Bad exit status from /var/tmp/rpm-tmp.Xn0ZKH (%check)
    Bad exit status from /var/tmp/rpm-tmp.Xn0ZKH (%check)
Child return code was: 1
EXCEPTION: [Error()]
Traceback (most recent call last):
  File "/usr/lib/python3.8/site-packages/mockbuild/trace_decorator.py", line 95, in trace
    result = func(*args, **kw)
  File "/usr/lib/python3.8/site-packages/mockbuild/util.py", line 746, in do_with_status
    raise exception.Error("Command failed: \n # %s\n%s" % (command, output), child.returncode)
mockbuild.exception.Error: Command failed: 
 # bash --login -c /usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec