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-338665-58401/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 0x3fb4dbf700>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=1597536000
Wrote: /builddir/build/SRPMS/xtb-6.3.2-2.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-338665-58401/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 0x3fb4dbf700>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=1597536000
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.Cr3g4l
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf xtb-6.3.2
+ /usr/bin/gzip -dc /builddir/build/SOURCES/xtb-6.3.2.tar.gz
+ /usr/bin/tar -xof -
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd xtb-6.3.2
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ echo 'Patch #0 (xtb-6.3.2-fedora.patch):'
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
+ echo 'Patch #2 (xtb-6.3.1-lapack.patch):'
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
Patch #3 (xtb-6.3.2-zerolen.patch):
+ echo 'Patch #3 (xtb-6.3.2-zerolen.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .zerolen --fuzz=0
patching file src/mctc/mctc_systools.f90
Patch #4 (xtb-6.3.2-environment.patch):
+ echo '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.teQKmp
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.2
+ 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-6.3.2/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.2/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-6.3.2/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
The Meson build system
Version: 0.55.1
Source dir: /builddir/build/BUILD/xtb-6.3.2
Build dir: /builddir/build/BUILD/xtb-6.3.2/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: 6.3.2
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 20200804 (Red Hat 10.2.1-2)")
Fortran linker for the host machine: gfortran ld.bfd 2.35-10
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 20200804 (Red Hat 10.2.1-2)")
C linker for the host machine: gcc ld.bfd 2.35-10
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: release]
Found ninja-1.10.1 at /usr/bin/ninja
++ date
+ date='Tue Sep  1 07:46:27 EDT 2020'
+ cat
+ /usr/bin/meson compile -C riscv64-redhat-linux-gnu -j 4 --verbose
ninja: Entering directory `riscv64-redhat-linux-gnu'
[1/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[2/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[3/540] true
[4/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[5/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[6/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[7/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[8/540] true
[9/540] true
[10/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[11/540] true
[12/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[13/540] true
[14/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[15/540] true
[16/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[17/540] true
[18/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[19/540] true
[20/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[21/540] true
[22/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[23/540] true
[24/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[25/540] true
[26/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[27/540] true
[28/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[29/540] true
[30/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[31/540] true
[32/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[33/540] true
[34/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[35/540] true
[36/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[37/540] true
[38/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[39/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[40/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[41/540] true
[42/540] true
[43/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[44/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[45/540] true
[46/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[47/540] true
[48/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[49/540] true
[50/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[51/540] true
[52/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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(:)
      | 
[53/540] true
[54/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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_systools.f90.o -c ../src/mctc/mctc_systools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_systools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_systools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[55/540] true
[56/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[57/540] true
[58/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[59/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[60/540] true
[61/540] true
[62/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[63/540] true
[64/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[65/540] true
[66/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[67/540] true
[68/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[69/540] true
[70/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[71/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[72/540] true
[73/540] true
[74/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[75/540] true
[76/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[77/540] true
[78/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[79/540] true
[80/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[81/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[82/540] true
[83/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[84/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[85/540] true
[86/540] true
[87/540] 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
[88/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[89/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[90/540] true
[91/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[92/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[93/540] true
[94/540] true
[95/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[96/540] true
[97/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[98/540] true
[99/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[100/540] true
[101/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[102/540] true
[103/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[104/540] true
[105/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[106/540] true
[107/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[108/540] true
[109/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[110/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[111/540] true
[112/540] true
[113/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[114/540] true
[115/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[116/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[117/540] true
[118/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[119/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[120/540] true
[121/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[122/540] true
[123/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[124/540] true
[125/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[126/540] true
[127/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[128/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[129/540] true
[130/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[131/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[132/540] true
[133/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[134/540] true
[135/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[136/540] true
[137/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[138/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[139/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[140/540] true
[141/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[142/540] true
[143/540] true
[144/540] true
[145/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[146/540] true
[147/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[148/540] true
[149/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[150/540] true
[151/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[152/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[153/540] true
[154/540] true
[155/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[156/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[157/540] true
[158/540] true
[159/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[160/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[161/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[162/540] true
[163/540] true
[164/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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)
      | 
[165/540] true
[166/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[167/540] true
[168/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[169/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[170/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      |                                      ^
[171/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[172/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[173/540] true
[174/540] true
[175/540] true
[176/540] true
[177/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[178/540] true
[179/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[180/540] true
[181/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[182/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[183/540] true
[184/540] true
[185/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
annobin: ../src/solv/input.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/input.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[186/540] true
[187/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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))))
      | 
[188/540] true
[189/540] true
[190/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[191/540] true
[192/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[193/540] true
[194/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[195/540] true
[196/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[197/540] true
[198/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[199/540] true
[200/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[201/540] true
[202/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[203/540] true
[204/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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)
      | 
[205/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[206/540] true
[207/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[208/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[209/540] true
[210/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[211/540] true
[212/540] true
[213/540] true
[214/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[215/540] true
[216/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[217/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[218/540] true
[219/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[220/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[221/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[222/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[223/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      | 
[224/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[225/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:76:23:
   76 |    integer  :: i,ii,j,k,l,m,mm
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/fixparam.f90:76:25:
   76 |    integer  :: i,ii,j,k,l,m,mm
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/fixparam.f90:76:30:
   76 |    integer  :: i,ii,j,k,l,m,mm
      |                              1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
[226/540] true
[227/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[228/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[229/540] true
[230/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[231/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[232/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      |                ^
[233/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[234/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[235/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[236/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[237/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[238/540] true
[239/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[240/540] true
[241/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[242/540] true
[243/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[244/540] true
[245/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[246/540] true
[247/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[248/540] true
[249/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      |                                                  ^
[250/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[251/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[252/540] true
[253/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[254/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[255/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[256/540] true
[257/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[258/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[259/540] true
[260/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[261/540] true
[262/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[263/540] true
[264/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[265/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[266/540] true
[267/540] true
[268/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[269/540] true
[270/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:155:19:
  155 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[271/540] true
[272/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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)
      | 
[273/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[274/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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)
      | 
[275/540] true
[276/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[277/540] true
[278/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[279/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      |                                  ^
[280/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:2777:13:
 2777 |          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.f90:2778:13:
 2778 |          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.f90:2779:13:
 2779 |          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.f90:2780:13:
 2780 |          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.f90:2781:12:
 2781 |          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.f90:2516:13:
 2516 |          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.f90:2517:13:
 2517 |          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.f90:2518:13:
 2518 |          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.f90:2519:13:
 2519 |          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.f90:2520:13:
 2520 |          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.f90:2619:13:
 2619 |          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.f90:2208:13:
 2208 |          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.f90:2209:13:
 2209 |          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.f90:2210:13:
 2210 |          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.f90:2211:13:
 2211 |          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.f90:2212:13:
 2212 |          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.f90:2223:13:
 2223 |          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.f90:2224:13:
 2224 |          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.f90:2225:13:
 2225 |          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.f90:2226:13:
 2226 |          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.f90:2355:13:
 2355 |          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.f90:1303:12:
 1303 |          A4=A
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:1304:12:
 1304 |          x4=x
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:701:68:
  701 |            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.f90:3178:38:
 3178 | 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.f90:2898:43:
 2898 |       real*8 drax(3),drbx(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2901:18:
 2901 |       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.f90:2901:24:
 2901 |       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.f90:2905:16:
 2905 |       real*8 gqa,gqb,gqx
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2905:20:
 2905 |       real*8 gqa,gqb,gqx
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2905:24:
 2905 |       real*8 gqa,gqb,gqx
      |                        1
Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2908:15:
 2908 |       integer i,j
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2908:17:
 2908 |       integer i,j
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2903:15:
 2903 |       real*8 qa,qb,qx
      |               1
Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2897:44:
 2897 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                            1
Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2897:49:
 2897 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                                 1
Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2648:23:
 2648 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2667:18:
 2667 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2662:47:
 2662 |       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.f90:2661:35:
 2661 |       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.f90:2661:58:
 2661 |       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.f90:2660:43:
 2660 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2672:17:
 2672 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2671:70:
 2671 |       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.f90:2668:36:
 2668 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2663:51:
 2663 |       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.f90:2676:16:
 2676 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2676:20:
 2676 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2676:24:
 2676 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2683:36:
 2683 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2673:31:
 2673 |       real*8 aterm,dterm,nbterm
      |                               1
Warning: Unused variable ‘nbterm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2679:35:
 2679 |       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.f90:2679:47:
 2679 |       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.f90:2658:44:
 2658 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2659:32:
 2659 |       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.f90:2659:53:
 2659 |       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.f90:2670:45:
 2670 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2667:24:
 2667 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2656:51:
 2656 |       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.f90:2658:49:
 2658 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2659:73:
 2659 |       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.f90:2659:94:
 2659 |       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.f90:2669:37:
 2669 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2657:15:
 2657 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2657:18:
 2657 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2657:21:
 2657 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2387:23:
 2387 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2406:18:
 2406 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2401:47:
 2401 |       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.f90:2400:35:
 2400 |       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.f90:2400:58:
 2400 |       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.f90:2399:43:
 2399 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2411:17:
 2411 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2410:70:
 2410 |       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.f90:2407:36:
 2407 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2402:51:
 2402 |       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.f90:2415:16:
 2415 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2415:20:
 2415 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2415:24:
 2415 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2421:36:
 2421 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:44:
 2397 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2398:32:
 2398 |       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.f90:2398:53:
 2398 |       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.f90:2409:45:
 2409 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2406:24:
 2406 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2395:51:
 2395 |       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.f90:2397:49:
 2397 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2398:73:
 2398 |       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.f90:2398:94:
 2398 |       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.f90:2408:37:
 2408 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2396:15:
 2396 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2396:18:
 2396 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2396:21:
 2396 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2093:17:
 2093 |       integer C,D
      |                 1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2064:43:
 2064 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2076:17:
 2076 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2080:16:
 2080 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2080:20:
 2080 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2080:24:
 2080 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:44:
 2062 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2071:18:
 2071 |       real*8 ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:49:
 2062 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2061:15:
 2061 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2061:18:
 2061 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2061:21:
 2061 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1769:18:
 1769 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1765:43:
 1765 |       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.f90:1774:17:
 1774 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1778:16:
 1778 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1778:20:
 1778 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1778:24:
 1778 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1763:44:
 1763 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1769:24:
 1769 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1763:49:
 1763 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1762:15:
 1762 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1762:18:
 1762 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1762:21:
 1762 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1535:18:
 1535 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1531:43:
 1531 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1540:17:
 1540 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1544:16:
 1544 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1544:20:
 1544 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1544:24:
 1544 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1529:44:
 1529 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1535:24:
 1535 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1529:49:
 1529 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1528:15:
 1528 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1528:18:
 1528 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1528:21:
 1528 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1365:43:
 1365 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1371:17:
 1371 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1375:16:
 1375 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1375:20:
 1375 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1375:24:
 1375 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1368:27:
 1368 |       real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh
      |                           1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1363:15:
 1363 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1363:18:
 1363 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1363:21:
 1363 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1246:36:
 1246 |       real(wp) :: gammij,tsqrt2pi,r2,tmp
      |                                    1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1129:16:
 1129 |       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.f90:1129:44:
 1129 |       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.f90:1137:28:
 1137 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1137:20:
 1137 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1133:27:
 1133 |       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.f90:1130:27:
 1130 |       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.f90:1130:35:
 1130 |       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.f90:1130:53:
 1130 |       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.f90:1130:16:
 1130 |       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.f90:1134:37:
 1134 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1130:19:
 1130 |       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.f90:1129:21:
 1129 |       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.f90:1136:19:
 1136 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1131:36:
 1131 |       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.f90:1132:18:
 1132 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1136:28:
 1136 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1135:45:
 1135 |       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.f90:1130:47:
 1130 |       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.f90:1130:41:
 1130 |       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.f90:1131:53:
 1131 |       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.f90:1133:19:
 1133 |       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.f90:1129:27:
 1129 |       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.f90:1129:33:
 1129 |       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.f90:1129:39:
 1129 |       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.f90:1133:32:
 1133 |       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.f90:1133:38:
 1133 |       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.f90:1074:59:
 1074 |       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.f90:1084:16:
 1084 |       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.f90:1084:47:
 1084 |       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.f90:1087:23:
 1087 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1087:38:
 1087 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1087:53:
 1087 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1092:28:
 1092 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1091:51:
 1091 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                                   1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1087:30:
 1087 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1087:45:
 1087 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1092:20:
 1092 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1091:43:
 1091 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                           1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1088:27:
 1088 |       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.f90:1085:27:
 1085 |       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.f90:1085:35:
 1085 |       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.f90:1085:53:
 1085 |       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.f90:1085:16:
 1085 |       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.f90:1089:37:
 1089 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1085:19:
 1085 |       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.f90:1084:24:
 1084 |       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.f90:1091:19:
 1091 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1086:36:
 1086 |       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.f90:1087:18:
 1087 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1091:28:
 1091 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1090:45:
 1090 |       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.f90:1085:47:
 1085 |       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.f90:1085:41:
 1085 |       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.f90:1086:53:
 1086 |       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.f90:1086:22:
 1086 |       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.f90:1086:31:
 1086 |       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.f90:1089:22:
 1089 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1088:19:
 1088 |       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.f90:1084:30:
 1084 |       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.f90:1084:36:
 1084 |       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.f90:1084:42:
 1084 |       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.f90:1088:32:
 1088 |       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.f90:1088:38:
 1088 |       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.f90:996:16:
  996 |       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.f90:996:44:
  996 |       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.f90:1000:27:
 1000 |       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.f90:997:27:
  997 |       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.f90:997:35:
  997 |       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.f90:997:53:
  997 |       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.f90:997:16:
  997 |       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.f90:1001:37:
 1001 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:997:19:
  997 |       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.f90:996:21:
  996 |       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.f90:998:36:
  998 |       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.f90:999:18:
  999 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1003:28:
 1003 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:997:47:
  997 |       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.f90:997:41:
  997 |       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.f90:998:53:
  998 |       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.f90:1000:19:
 1000 |       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.f90:996:27:
  996 |       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.f90:996:33:
  996 |       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.f90:996:39:
  996 |       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.f90:1000:32:
 1000 |       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.f90:1000:38:
 1000 |       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.f90:937:48:
  937 |       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.f90:941:28:
  941 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:940:56:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:20:
  941 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:940:48:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:939:41:
  939 |       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.f90:939:34:
  939 |       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.f90:939:27:
  939 |       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.f90:939:20:
  939 |       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.f90:937:45:
  937 |       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.f90:938:43:
  938 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:938:37:
  938 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:937:41:
  937 |       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.f90:940:19:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:939:49:
  939 |       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.f90:940:33:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:940:23:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:940:28:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:940:41:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:939:45:
  939 |       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.f90:940:37:
  940 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:41:
  941 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:938:22:
  938 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:38:
  941 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:938:50:
  938 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:938:34:
  938 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:938:28:
  938 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:865:48:
  865 |       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.f90:878:48:
  878 |       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.f90:877:23:
  877 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:877:38:
  877 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:877:53:
  877 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:28:
  882 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:881:56:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:877:30:
  877 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:877:45:
  877 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:20:
  882 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:881:48:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:880:41:
  880 |       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.f90:880:34:
  880 |       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.f90:880:27:
  880 |       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.f90:880:20:
  880 |       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.f90:878:45:
  878 |       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.f90:879:43:
  879 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:879:37:
  879 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:878:41:
  878 |       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.f90:881:19:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:880:49:
  880 |       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.f90:881:33:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:881:23:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:881:28:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:881:41:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:880:45:
  880 |       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.f90:881:37:
  881 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:41:
  882 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:876:22:
  876 |       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.f90:876:31:
  876 |       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.f90:879:22:
  879 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:38:
  882 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:879:50:
  879 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:879:34:
  879 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:879:28:
  879 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:813:48:
  813 |       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.f90:817:28:
  817 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:816:56:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:20:
  817 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:816:48:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:815:41:
  815 |       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.f90:815:34:
  815 |       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.f90:815:27:
  815 |       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.f90:815:20:
  815 |       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.f90:813:45:
  813 |       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.f90:814:43:
  814 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:814:37:
  814 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:813:41:
  813 |       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.f90:816:19:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:815:49:
  815 |       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.f90:816:33:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:816:23:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:816:28:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:816:41:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:815:45:
  815 |       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.f90:816:37:
  816 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:41:
  817 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:814:22:
  814 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:38:
  817 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:814:50:
  814 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:814:34:
  814 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:814:28:
  814 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:756:24:
  756 |       real(wp) :: cn_thr
      |                        1
Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:761:23:
  761 |       integer  :: iA,jA,jH
      |                       1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:761:26:
  761 |       integer  :: iA,jA,jH
      |                          1
Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:759:21:
  759 |       integer  :: lin,linAH
      |                     1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:759:27:
  759 |       integer  :: lin,linAH
      |                           1
Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:617:51:
  617 |       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.f90:633:15:
  633 |       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.f90:93:17:
   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.f90:2382:0:
 2382 | 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.f90:2643:0:
 2643 | 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.f90:3178:0:
 3178 | pure elemental function create_erfCN(k,r,r0) result(count)
      | 
Warning: ‘create_erfcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3201:0:
 3201 | pure elemental function create_expCN(k,r,r0) result(count)
      | 
Warning: ‘create_expcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3209:0:
 3209 | pure elemental function create_dexpCN(k,r,r0) result(count)
      | 
Warning: ‘create_dexpcn’ defined but not used [-Wunused-function]
[281/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[282/540] true
[283/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[284/540] true
[285/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[286/540] true
[287/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      | 
[288/540] true
[289/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[290/540] true
[291/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[292/540] true
[293/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[294/540] true
[295/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[296/540] true
[297/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[298/540] true
[299/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[300/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[301/540] true
[302/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[303/540] true
[304/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[305/540] true
[306/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[307/540] true
[308/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[309/540] true
[310/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[311/540] true
[312/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[313/540] true
[314/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[315/540] true
[316/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[317/540] true
[318/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[319/540] true
[320/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[321/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[322/540] true
[323/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[324/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[325/540] true
[326/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[327/540] true
[328/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[329/540] true
[330/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[331/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[332/540] true
[333/540] true
[334/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[335/540] true
[336/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[337/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[338/540] true
[339/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[340/540] true
[341/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[342/540] true
[343/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[344/540] true
[345/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:1056:18:
 1056 |    real(wp) :: arg,tmp,dtmp
      |                  1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1065:17:
 1065 |    real(wp) :: cf ! convergence factor
      |                 1
Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1046:41:
 1046 |    real(wp),allocatable :: dAmatdL(:,:,:)
      |                                         1
Warning: Unused variable ‘damatdl’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1064:36:
 1064 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                                    1
Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1056:27:
 1056 |    real(wp) :: arg,tmp,dtmp
      |                           1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1048:41:
 1048 |    real(wp),allocatable :: dXvecdL(:,:,:)
      |                                         1
Warning: Unused variable ‘dxvecdl’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1089:35:
 1089 |    real(wp) :: gborn, ghb, r3, erft
      |                                   1
Warning: Unused variable ‘erft’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1064:20:
 1064 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                    1
Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1055:20:
 1055 |    real(wp) :: gamij,gamij2
      |                    1
Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1055:27:
 1055 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1053:20:
 1053 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1053:22:
 1053 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1054:16:
 1054 |    real(wp) :: r,rij(3),r2
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1054:26:
 1054 |    real(wp) :: r,rij(3),r2
      |                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1089:29:
 1089 |    real(wp) :: gborn, ghb, r3, erft
      |                             1
Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1067:36:
 1067 |    integer              :: rep_cn(3)
      |                                    1
Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1054:23:
 1054 |    real(wp) :: r,rij(3),r2
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1064:27:
 1064 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                           1
Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1064:46:
 1064 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                                              1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1063:20:
 1063 |    integer  :: wscAt
      |                    1
Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:724:18:
  724 |    real(wp) :: arg,tmp,dtmp
      |                  1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:732:36:
  732 |    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.f90:724:27:
  724 |    real(wp) :: arg,tmp,dtmp
      |                           1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:732:20:
  732 |    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.f90:723:20:
  723 |    real(wp) :: gamij,gamij2
      |                    1
Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:723:27:
  723 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:721:20:
  721 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:721:22:
  721 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:722:16:
  722 |    real(wp) :: r,rij(3),r2
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:722:26:
  722 |    real(wp) :: r,rij(3),r2
      |                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:722:23:
  722 |    real(wp) :: r,rij(3),r2
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:732:27:
  732 |    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.f90:732:46:
  732 |    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.f90:731:20:
  731 |    integer  :: wscAt
      |                    1
Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:372:27:
  372 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:370:20:
  370 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:370:22:
  370 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:264:17:
  264 |    integer  :: dx,dy,dz,i,itr
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:264:20:
  264 |    integer  :: dx,dy,dz,i,itr
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:264:23:
  264 |    integer  :: dx,dy,dz,i,itr
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:266:19:
  266 |    real(wp) :: t(3),dtmp,stmp(3)
      |                   1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:234:17:
  234 |    integer  :: dx,dy,dz,itr
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:234:20:
  234 |    integer  :: dx,dy,dz,itr
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:234:23:
  234 |    integer  :: dx,dy,dz,itr
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:236:19:
  236 |    real(wp) :: t(3)
      |                   1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:177:22:
  177 |    real(wp) :: gVec(3)
      |                      1
Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:176:17:
  176 |    integer :: iG1, iG2, iG3, iRp
      |                 1
Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:176:22:
  176 |    integer :: iG1, iG2, iG3, iRp
      |                      1
Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:176:27:
  176 |    integer :: iG1, iG2, iG3, iRp
      |                           1
Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:176:32:
  176 |    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]
[346/540] true
[347/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[348/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[349/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[350/540] true
[351/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[352/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[353/540] true
[354/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[355/540] true
[356/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[357/540] true
[358/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[359/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[360/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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)
      | 
[361/540] true
[362/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[363/540] true
[364/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[365/540] true
[366/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[367/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[368/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[369/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[370/540] true
[371/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[372/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[373/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[374/540] true
[375/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[376/540] true
[377/540] true
[378/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[379/540] true
[380/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[381/540] true
[382/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      | 
[383/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:163:27:
  163 |    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]
[384/540] true
[385/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[386/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[387/540] true
[388/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[389/540] true
[390/540] true
[391/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[392/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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 = ''
      | 
[393/540] true
[394/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[395/540] true
[396/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[397/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:89:46:
   89 | 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]
[398/540] true
[399/540] true
[400/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      | 
[401/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[402/540] true
[403/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[404/540] true
[405/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[406/540] true
[407/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[408/540] true
[409/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[410/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[411/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[412/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[413/540] true
[414/540] true
[415/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[416/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[417/540] true
[418/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[419/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[420/540] true
[421/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[422/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[423/540] true
[424/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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)
      | 
[425/540] true
[426/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[427/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      |                ^
[428/540] true
[429/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[430/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:491:42:
  491 |       &         sinphi,cosphi,onenner,thab,thbc,&
      |                                          1
Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable]
../src/constr.f90:491:47:
  491 |       &         sinphi,cosphi,onenner,thab,thbc,&
      |                                               1
Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable]
../src/constr.f90:496:52:
  496 |       &         xyz(3,nat),phi,vecnorm,nenner,eps,vz
      |                                                    1
Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable]
../src/constr.f90:649:15:
  649 |       &     rab,rbc,thab,thbc,valijk,&
      |               1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/constr.f90:649:19:
  649 |       &     rab,rbc,thab,thbc,valijk,&
      |                   1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/constr.f90:650:31:
  650 |       &     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.f90:773:27:
  773 |       &        vecnorm,rkjn,rljn,rnn,rvn
      |                           1
Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable]
../src/constr.f90:773:32:
  773 |       &        vecnorm,rkjn,rljn,rnn,rvn
      |                                1
Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable]
[431/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:847:0:
  847 | 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.f90:757:3:
  757 |  20   call ekinet(n,velo,mass,edum)
      |   1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/dynamic.f90:851:9:
  851 |    irand=n*x
      |         1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:242:10:
  242 |    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.f90:243:12:
  243 |    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.f90:266:8:
  266 |    nmax=tmax*1000/tstep0
      |        1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:267:24:
  267 |    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.f90:849:14:
  849 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:814:35:
  814 |    integer, allocatable :: iseed(:)
      |                                   1
Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:813:14:
  813 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:810:14:
  810 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:787:40:
  787 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:739:23:
  739 |       integer iat(n),nh,i,j
      |                       1
Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:684:26:
  684 |       subroutine blocksd(n,nbl,ebl,tbl,esd,tsd)
      |                          1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/dynamic.f90:179:38:
  179 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                      1
Warning: Unused variable ‘b0’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:179:32:
  179 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                1
Warning: Unused variable ‘be’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:176:47:
  176 |    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.f90:176:40:
  176 |    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.f90:179:49:
  179 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                                 1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:177:18:
  177 |    real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:174:24:
  174 |    real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr
      |                        1
Warning: Unused variable ‘eel1’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:180:17:
  180 |    logical  :: ex,thermostat,restart,confdump,equi,gmd,ldum
      |                 1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:200:19:
  200 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:198:40:
  198 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:182:28:
  182 |    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.f90:182:58:
  182 |    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.f90:182:22:
  182 |    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.f90:182:34:
  182 |    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.f90:182:31:
  182 |    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.f90:182:25:
  182 |    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.f90:182:37:
  182 |    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.f90:180:59:
  180 |    logical  :: ex,thermostat,restart,confdump,equi,gmd,ldum
      |                                                           1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:182:42:
  182 |    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.f90:174:19:
  174 |    real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr
      |                   1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:191:36:
  191 |    real(wp),allocatable :: tmpx(:,:)
      |                                    1
Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:179:42:
  179 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                          1
Warning: Unused variable ‘tor’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:177:37:
  177 |    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.f90:195:40: warning: ‘intgeoav.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  195 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                        ^
../src/dynamic.f90:195:40: warning: ‘intgeoav.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
../src/dynamic.f90:587: warning: ‘intgeo.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  587 |             if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes
      | 
../src/dynamic.f90:587: warning: ‘intgeo.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized]
../src/dynamic.f90:603: warning: ‘intgeo.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  603 |          intgeoav = intgeoav + intgeo-intgeo0
      | 
../src/dynamic.f90:603: warning: ‘intgeo.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  603 |          intgeoav = intgeoav + intgeo-intgeo0
      | 
../src/dynamic.f90:195:50: warning: ‘tmpg.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  195 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                                  ^
../src/dynamic.f90:583: warning: ‘tmpg.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  583 |          tmpg=mol%xyz/aatoau
      | 
../src/dynamic.f90:195:50: warning: ‘tmpg.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  195 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                                  ^
../src/dynamic.f90:583: warning: ‘tmpg.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  583 |          tmpg=mol%xyz/aatoau
      | 
[432/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      | 
[433/540] true
[434/540] true
[435/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      | 
[436/540] true
[437/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[438/540] true
[439/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[440/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:188:36:
  188 | subroutine writeInfo(self, unit, mol)
      |                                    1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/type/dummycalc.f90:188:25:
  188 | 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.f90:112:19:
  112 |    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]
[441/540] true
[442/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:229:36:
  229 | subroutine writeInfo(self, unit, mol)
      |                                    1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:205:52:
  205 | 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]
[443/540] true
[444/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[445/540] true
[446/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[447/540] true
[448/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[449/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[450/540] true
[451/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[452/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[453/540] true
[454/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[455/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[456/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:2351:19:
 2351 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2349:18:
 2349 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2350:19:
 2350 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2352:19:
 2352 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2332:24:
 2332 | subroutine set_split(env,key,val)
      |                        1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2332:28:
 2332 | subroutine set_split(env,key,val)
      |                            1
Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2332:32:
 2332 | subroutine set_split(env,key,val)
      |                                1
Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2267:18:
 2267 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2270:19:
 2270 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2243:19:
 2243 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2241:18:
 2241 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2242:19:
 2242 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2244:19:
 2244 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2181:18:
 2181 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2193:23:
 2193 |    logical,save :: set8 = .true.
      |                       1
Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2148:62:
 2148 |    character(len=p_str_length),dimension(p_arg_length) :: argv
      |                                                              1
Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2141:18:
 2141 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2146:16:
 2146 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2144:19:
 2144 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2147:19:
 2147 |    integer  :: narg
      |                   1
Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2154:23:
 2154 |    logical,save :: set5 = .true.
      |                       1
Warning: Unused variable ‘set5’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2100:18:
 2100 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2101:19:
 2101 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2078:18:
 2078 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2079:19:
 2079 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2081:19:
 2081 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2034:19:
 2034 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2032:18:
 2032 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2033:19:
 2033 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2035:19:
 2035 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2043:23:
 2043 |    logical,save :: set8 = .true.
      |                       1
Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2008:18:
 2008 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2011:19:
 2011 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1972:18:
 1972 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1973:19:
 1973 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1975:19:
 1975 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1943:18:
 1943 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1944:19:
 1944 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1946:19:
 1946 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1949:23:
 1949 |    logical,save :: set3 = .true.
      |                       1
Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1899:18:
 1899 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1902:19:
 1902 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1830:18:
 1830 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1796:18:
 1796 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1799:19:
 1799 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1772:18:
 1772 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1773:19:
 1773 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1775:19:
 1775 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1719:18:
 1719 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1620:18:
 1620 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1573:18:
 1573 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1576:19:
 1576 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1406:18:
 1406 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1427:24:
 1427 |    logical,save :: set18 = .true.
      |                        1
Warning: Unused variable ‘set18’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1358:18:
 1358 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1361:19:
 1361 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1313:19:
 1313 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1311:18:
 1311 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1242:19:
 1242 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1240:18:
 1240 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1099:19:
 1099 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1097:18:
 1097 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1098:19:
 1098 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1076:18:
 1076 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1056:18:
 1056 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1038:18:
 1038 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:726:19:
  726 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:719:15:
  719 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:721:16:
  721 |    integer :: ic
      |                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/set_module.f90:722:16:
  722 |    integer :: ie
      |                1
Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable]
../src/set_module.f90:715:38:
  715 |    character(len=:),allocatable :: key
      |                                      1
Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable]
../src/set_module.f90:716:38:
  716 |    character(len=:),allocatable :: val
      |                                      1
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
../src/set_module.f90:683:19:
  683 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:565:15:
  565 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:455:15:
  455 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:430:15:
  430 |    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)
      | 
[457/540] true
[458/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[459/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[460/540] true
[461/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[462/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[463/540] true
[464/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[465/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[466/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[467/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/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
[468/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:283:47:
  283 | subroutine print_gfn2_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:264:47:
  264 | subroutine print_gfn1_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:247:53:
  247 | subroutine print_gfn0_results(iunit,res,verbose,lsolv)
      |                                                     1
Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:247:47:
  247 | 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]
[469/540] true
[470/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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) &
      |                                                  ^
[471/540] true
[472/540] 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 ;
      |              ^
[473/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[474/540] true
[475/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[476/540] true
[477/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[478/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[479/540] true
[480/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[481/540] true
[482/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[483/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.F90:1144:28:
 1144 |    character(len=5)  :: adum
      |                            1
Warning: Unused variable ‘adum’ declared at (1) [-Wunused-variable]
../src/hessian.F90:71:43:
   71 |    real(wp) :: sum1,sum2,trdip(3),dipole(3)
      |                                           1
Warning: Unused variable ‘dipole’ declared at (1) [-Wunused-variable]
../src/hessian.F90:69:46:
   69 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                                              1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/hessian.F90:69:42:
   69 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                                          1
Warning: Unused variable ‘dumi’ declared at (1) [-Wunused-variable]
../src/hessian.F90:70:19:
   70 |    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.F90:96:17:
   96 |    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.F90:94:16:
   94 |    logical :: ex,rd
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/hessian.F90:97:46:
   97 |    character(len=:),allocatable :: hname,fname
      |                                              1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/hessian.F90:70:59:
   70 |    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.F90:70:54:
   70 |    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.F90:95:17:
   95 |    integer :: ich ! file handle
      |                 1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:33:
   74 |    integer  :: nread,kend,lowmode
      |                                 1
Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:20:
   74 |    integer  :: nread,kend,lowmode
      |                    1
Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:59:
   73 |    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.F90:69:21:
   69 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                     1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:62:
   73 |    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.F90:71:19:
   71 |    real(wp) :: sum1,sum2,trdip(3),dipole(3)
      |                   1
Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable]
../src/hessian.F90:72:23:
   72 |    real(wp) :: trpol(3),sl(3,3)
      |                       1
Warning: Unused variable ‘trpol’ declared at (1) [-Wunused-variable]
../src/hessian.F90:69:31:
   69 |    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.F90:649: warning: ‘xyz2.offset’ is used uninitialized in this function [-Wuninitialized]
  649 |    xyz2 = mol%xyz
      | 
../src/hessian.F90:649: warning: ‘xyz2.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:649: warning: ‘xyz2.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:649: warning: ‘xyz2.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:649: warning: ‘xyz2.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[484/540] true
[485/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[486/540] true
[487/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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.f90:1173:27:
 1173 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                           1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/main/property.f90:1173:25:
 1173 |    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]
[488/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      | 
[489/540] true
[490/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
[491/540] true
[492/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[493/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[494/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[495/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[496/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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]
[497/540] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/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
      |                  ^
[498/540] 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_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_systools.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_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
[499/540] 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_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_systools.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_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
[500/540] 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
[501/540] true
[502/540] 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
[503/540] true
[504/540] 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
[505/540] true
[506/540] 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
[507/540] true
[508/540] 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
[509/540] 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
[510/540] 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]
[511/540] true
[512/540] true
[513/540] 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]
[514/540] true
[515/540] 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]
[516/540] 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.F90:115:33:
  115 |    type(chrg_parameter) :: chrgeq
      |                                 1
Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:183:22:
  183 |    logical :: epr,diff,murks
      |                      1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:172:19:
  172 |    real(wp) :: dum5,egap,etot,ipeashift
      |                   1
Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:146:45:
  146 |    real(wp),allocatable :: dumdumdum  (:,:,:)
      |                                             1
Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:183:17:
  183 |    logical :: epr,diff,murks
      |                 1
Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:182:16:
  182 |    logical :: ex,okbas
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:189:21:
  189 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:173:46:
  173 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                                              1
Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:143:33:
  143 |    type(TxTBParameter) :: globpar
      |                                 1
Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:187:23:
  187 |    logical :: newreader
      |                       1
Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:194:19:
  194 |    integer :: nproc
      |                   1
Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:182:22:
  182 |    logical :: ex,okbas
      |                      1
Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:193:38:
  193 |    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.F90:193:58:
  193 |    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.F90:147:33:
  147 |    real(wp),allocatable :: q  (:)
      |                                 1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:148:34:
  148 |    real(wp),allocatable :: ql  (:)
      |                                  1
Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:149:34:
  149 |    real(wp),allocatable :: qr  (:)
      |                                  1
Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:173:22:
  173 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                      1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:173:25:
  173 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                         1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:193:17:
  193 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                 1
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:176:28:
  176 |    real(wp) :: vomega,vfukui
      |                            1
Warning: Unused variable ‘vfukui’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:173:28:
  173 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                            1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:173:31:
  173 |    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.F90:705: warning: ‘ip’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  705 |       vomega=(ip+ea)**2/(8*(ip-ea))
      | 
[517/540] true
[518/540] 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
[519/540] 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]
[520/540] 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]
[521/540] 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]
[522/540] 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]
[523/540] 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]
[524/540] 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]
[525/540] 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.f90:513:29:
  513 |    type(tb_pcem)      :: pcem
      |                             1
Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfn1.f90:521:26:
  521 |    real(wp) :: stress(3,3)
      |                          1
Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable]
[526/540] 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
[527/540] 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
[528/540] 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
[529/540] 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]
[530/540] 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]
[531/540] 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
[532/540] 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]
[533/540] 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]
[534/540] 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]
[535/540] 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
[536/540] 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
[537/540] 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
[538/540] gcc  -o libxtb.so.6.3.2  -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.f90:72:23: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      |                       ^
../src/fragment.f90:72:23: 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.f90:18:23: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      |                       ^
../src/fragment.f90:18:23: 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
[539/540] 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.f90:72:23: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      |                       ^
../src/fragment.f90:72:23: 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.f90:18:23: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      |                       ^
../src/fragment.f90:18:23: 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.F90:1125: warning: type of ‘help’ does not match original declaration [-Wlto-type-mismatch]
 1125 |          call help(env%unit)
      | 
../src/xhelp.f90:61: note: type mismatch in parameter 1
   61 | subroutine help
      | 
../src/xhelp.f90:61: note: ‘help’ was previously declared here
[540/540] 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.f90:72:23: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      |                       ^
../src/fragment.f90:72:23: 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.f90:18:23: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      |                       ^
../src/fragment.f90:18:23: 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.f90:36:35: 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.OsGQpo
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64 '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64
++ dirname /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64
+ cd xtb-6.3.2
+ DESTDIR=/builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64
+ /usr/bin/meson install -C riscv64-redhat-linux-gnu --no-rebuild
Installing libxtb.so.6.3.2 to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/lib64
Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/lib64
Installing xtb to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/bin
Installing /builddir/build/BUILD/xtb-6.3.2/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/include/
Installing /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/xtb.1 to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/man/man1
Installing /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/xcontrol.7 to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/man/man7
Installing /builddir/build/BUILD/xtb-6.3.2/param_gfn0-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.2/param_gfn2-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.2/param_gfn1-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.2/param_ipea-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.2/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/assets/config_env.bash to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/assets/config_env.csh to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/assets/xtb.pc to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/lib64/pkgconfig
Installing /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/assets/xtb.tcl to /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/modules/modulefiles/xtb
+ rm /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/lib64/libxtb.a
+ rm -rf /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/share/modules
+ mkdir -p /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/etc/profile.d
+ cat
+ cat
+ /usr/lib/rpm/find-debuginfo.sh -j4 --strict-build-id -m -i --build-id-seed 6.3.2-2.fc33 --unique-debug-suffix -6.3.2-2.fc33.riscv64 --unique-debug-src-base xtb-6.3.2-2.fc33.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.3.2
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/lib64/libxtb.so.6.3.2
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/bin/xtb
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/lib64/libxtb.so.6.3.2
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.2-2.fc33.riscv64/usr/bin/xtb
original debug info size: 35688kB, size after compression: 33676kB
/usr/lib/rpm/sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match.
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
11062 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.ZzM1Jp
+ 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.ZzM1Jp")
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
+ cd xtb-6.3.2
+ set
++ hostname
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=306250
PROMPT_COMMAND='printf "\033]0;<mock-chroot>\007"'
PS4='+ '
PWD=/builddir/build/BUILD/xtb-6.3.2
RPM_ARCH=riscv64
RPM_BUILD_DIR=/builddir/build/BUILD
RPM_BUILD_NCPUS=4
RPM_BUILD_ROOT=/builddir/build/BUILDROOT/xtb-6.3.2-2.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
RPM_PACKAGE_RELEASE=2.fc33
RPM_PACKAGE_VERSION=6.3.2
RPM_SOURCE_DIR=/builddir/build/SOURCES
SHELL=/bin/bash
SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix:xtrace
SHLVL=1
SOURCE_DATE_EPOCH=1597536000
TERM=vt100
UID=987
USER=mockbuild
_=xtb-6.3.2
+ export HOSTNAME=fedora-riscv-6.gcc162.osuosl.org
+ HOSTNAME=fedora-riscv-6.gcc162.osuosl.org
+ /usr/bin/meson test -C riscv64-redhat-linux-gnu --num-processes 4 --print-errorlogs
ninja: Entering directory `/builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu'
[1/499] Dep hack
[2/499] Dep hack
[3/448] Dep hack
[4/447] Dep hack
[5/447] Dep hack
[6/447] Dep hack
[7/447] Dep hack
[8/447] Dep hack
[9/447] Dep hack
[10/447] Dep hack
[11/446] Dep hack
[12/446] Dep hack
[13/446] Dep hack
[14/446] Dep hack
[15/445] Dep hack
[16/445] Dep hack
[17/444] Dep hack
[18/444] Dep hack
[19/444] Dep hack
[20/444] Dep hack
[21/444] Dep hack
[22/444] Dep hack
[23/443] Dep hack
[24/442] Dep hack
[25/441] Dep hack
[26/441] Dep hack
[27/441] Dep hack
[28/441] Dep hack
[29/441] Dep hack
[30/435] Dep hack
[31/435] Dep hack
[32/432] Dep hack
[33/432] Dep hack
[34/432] Dep hack
[35/432] Dep hack
[36/432] Dep hack
[37/432] Dep hack
[38/422] Dep hack
[39/422] Dep hack
[40/422] Dep hack
[41/416] Dep hack
[42/416] Dep hack
[43/416] Dep hack
[44/416] Dep hack
[45/416] Dep hack
[46/415] Dep hack
[47/415] Dep hack
[48/415] Dep hack
[49/414] Dep hack
[50/414] Dep hack
[51/411] Dep hack
[52/409] Dep hack
[53/408] Dep hack
[54/408] Dep hack
[55/408] Dep hack
[56/408] Dep hack
[57/408] Dep hack
[58/407] Dep hack
[59/405] Dep hack
[60/404] Dep hack
[61/404] Dep hack
[62/404] Dep hack
[63/402] Dep hack
[64/394] Dep hack
[65/394] Dep hack
[66/392] Dep hack
[67/392] Dep hack
[68/392] Dep hack
[69/392] Dep hack
[70/392] Dep hack
[71/392] Dep hack
[72/392] Dep hack
[73/391] Dep hack
[74/390] Dep hack
[75/387] Dep hack
[76/386] Dep hack
[77/386] Dep hack
[78/386] Dep hack
[79/385] Dep hack
[80/385] Dep hack
[81/385] Dep hack
[82/385] Dep hack
[83/385] Dep hack
[84/384] Dep hack
[85/376] Dep hack
[86/370] Dep hack
[87/369] Dep hack
[88/369] Dep hack
[89/368] Dep hack
[90/367] Dep hack
[91/367] Dep hack
[92/367] Dep hack
[93/366] Dep hack
[94/366] Dep hack
[95/366] Dep hack
[96/366] Dep hack
[97/365] Dep hack
[98/363] Dep hack
[99/362] Dep hack
[100/362] Dep hack
[101/361] Dep hack
[102/360] Dep hack
[103/360] Dep hack
[104/360] Dep hack
[105/360] Dep hack
[106/360] Dep hack
[107/360] Dep hack
[108/360] Dep hack
[109/360] Dep hack
[110/359] Dep hack
[111/359] Dep hack
[112/356] Dep hack
[113/356] Dep hack
[114/356] Dep hack
[115/355] Dep hack
[116/355] Dep hack
[117/355] Dep hack
[118/355] Dep hack
[119/355] Dep hack
[120/354] Dep hack
[121/353] Dep hack
[122/353] Dep hack
[123/352] Dep hack
[124/352] Dep hack
[125/352] Dep hack
[126/351] Dep hack
[127/342] Dep hack
[128/316] Dep hack
[129/313] Dep hack
[130/313] Dep hack
[131/313] Dep hack
[132/313] Dep hack
[133/312] Dep hack
[134/312] Dep hack
[135/312] Dep hack
[136/312] Dep hack
[137/311] Dep hack
[138/305] Dep hack
[139/304] Dep hack
[140/304] Dep hack
[141/304] Dep hack
[142/304] Dep hack
[143/304] Dep hack
[144/304] Dep hack
[145/304] Dep hack
[146/304] Dep hack
[147/304] Dep hack
[148/304] Dep hack
[149/304] Dep hack
[150/304] Dep hack
[151/303] Dep hack
[152/302] Dep hack
[153/301] Dep hack
[154/299] Dep hack
[155/299] Dep hack
[156/299] Dep hack
[157/298] Dep hack
[158/297] Dep hack
[159/296] Dep hack
[160/296] Dep hack
[161/295] Dep hack
[162/294] Dep hack
[163/294] Dep hack
[164/291] Dep hack
[165/291] Dep hack
[166/291] Dep hack
[167/291] Dep hack
[168/289] Dep hack
[169/289] Dep hack
[170/289] Dep hack
[171/289] Dep hack
[172/288] Dep hack
[173/287] Dep hack
[174/279] Dep hack
[175/279] Dep hack
[176/279] Dep hack
[177/277] Dep hack
[178/277] Dep hack
[179/277] Dep hack
[180/277] Dep hack
[181/277] Dep hack
[182/277] Dep hack
[183/276] Dep hack
[184/273] Dep hack
[185/272] Dep hack
[186/271] Dep hack
[187/271] Dep hack
[188/271] Dep hack
[189/267] Dep hack
[190/266] Dep hack
[191/266] Dep hack
[192/266] Dep hack
[193/265] Dep hack
[194/265] Dep hack
[195/264] Dep hack
[196/263] Dep hack
[197/261] Dep hack
[198/261] Dep hack
[199/261] Dep hack
[200/260] Dep hack
[201/257] Dep hack
[202/256] Dep hack
[203/254] Dep hack
[204/253] Dep hack
[205/247] Dep hack
[206/246] Dep hack
[207/246] Dep hack
[208/242] Dep hack
[209/238] Dep hack
[210/238] Dep hack
[211/222] Dep hack
[212/217] Dep hack
[213/217] Dep hack
[214/217] Dep hack
[215/217] Dep hack
 1/95 Argparser: print version  OK             1.31s
 2/95 Argparser: print help     OK             1.24s
 3/95 Argparser: print license  OK             1.40s
 4/95 Argparser: no arguments   EXPECTEDFAIL   2.00s
 5/95 Info                      OK             1.65s
 6/95 Singlepoint               OK             18.55s
 7/95 Geometry opt.             OK             105.45s
 8/95 IP/EA                     OK             56.17s
 9/95 GFN0-xTB                  OK             6.26s
10/95 GFN1-xTB                  OK             26.30s
11/95 GFN2-xTB/GBSA             OK             20.18s
12/95 GFN-FF                    OK             1.86s
13/95 Molecule: axis            OK             1.01s
14/95 Molecule: MIC             OK             0.94s
15/95 Lattice points: PBC-3D    OK             0.95s
16/95 Wigner-Seitz Cell (3D)    OK             0.99s
17/95 coord 3D                  OK             0.99s
18/95 coord 3D                  OK             0.84s
19/95 coord 2D                  SKIP           0.86s
20/95 coord 1D                  SKIP           0.61s
21/95 coord 0D                  OK             0.85s
22/95 Xmol  0D                  OK             1.12s
23/95 POSCAR                    OK             1.03s
24/95 molfile                   OK             1.25s
25/95 molfile flat              OK             1.16s
26/95 SDF                       OK             0.89s
27/95 SDF flat                  OK             1.08s
28/95 SDF no H                  EXPECTEDFAIL   1.84s
29/95 PDB                       OK             1.00s
30/95 PDB no H                  EXPECTEDFAIL   1.91s
31/95 genFormat                 OK             0.98s
32/95 PBC tools: convert        OK             0.97s
33/95 PBC tools: cutoff         OK             0.87s
34/95 Symmetry: Water           OK             1.02s
35/95 Symmetry: Li8             OK             1.09s
36/95 Symmetry: PCl3            OK             0.92s
37/95 Symmetry: large           OK             15.41s
38/95 Thermo: axis              OK             0.87s
39/95 Thermo: calculation       OK             0.94s
40/95 Thermo: print             OK             1.01s
41/95 Repulsion: 0D             OK             2.41s
42/95 Repulsion: 3D             OK             58.76s
43/95 Coulomb: point (0D)       OK             1.27s
44/95 Coulomb: point (3D)       OK             37.82s
45/95 Coulomb: GFN1 (0D)        OK             7.75s
46/95 Coulomb: GFN1 (3D)        OK             49.89s
47/95 Coulomb: GFN2 (0D)        OK             6.42s
48/95 Coulomb: GFN2 (3D)        OK             67.31s
49/95 Coulomb: Gauss. (0D)      OK             2.20s
50/95 Coulomb: Gauss. (3D)      OK             38.76s
51/95 EEQ model: water          OK             1.11s
52/95 EEQ model: 3D Ewald       OK             9.18s
53/95 EEQ model: GBSA           OK             1.24s
54/95 EEQ model: GBSA (salt)    OK             1.40s
55/95 EEQ model: GBSA (H-bond)  SKIP           1.02s
56/95 CN: latticepoints         OK             3.65s
57/95 CN: neighbourlist         OK             4.03s
58/95 DFT-D3: latticepoints     OK             60.95s
59/95 DFT-D3: neighbourlist     OK             22.95s
60/95 DFT-D3: threebody (LP)    OK             12.36s
61/95 DFT-D3: threebody (NL)    OK             11.64s
62/95 DFT-D4: latticepoints     OK             62.28s
63/95 DFT-D4: neighbourlist     OK             41.55s
64/95 DFT-D4: threebody (LP)    OK             13.74s
65/95 DFT-D4: threebody (NL)    OK             13.23s
66/95 GFN2-xTB: Basic           FAIL           73.06s (exit status 1)
67/95 GFN2-xTB: Solvation       FAIL           97.68s (exit status 1)
68/95 GFN2-xTB: SCC             OK             1.97s
69/95 GFN2-xTB: API             OK             3.95s
70/95 GFN2-xTB: API (GBSA)      OK             6.89s
71/95 GFN2-xTB: API (GBSA+salt) OK             3.85s
72/95 GFN2-xTB: d-Metal         FAIL           12.09s (exit status 1)
73/95 GFN1-xTB: Basic           OK             154.08s
74/95 GFN1-xTB: Solvation       FAIL           143.80s (exit status 1)
75/95 GFN1-xTB: SCC             OK             1.37s
76/95 GFN1-xTB: API             OK             2.86s
77/95 GFN1-xTB: XB              OK             5.38s
78/95 GFN1-xTB: PBC             OK             43.37s
79/95 GFN1-xTB: API (GBSA)      OK             4.11s
80/95 GFN1-xTB: API (PCEM)      OK             7.72s
81/95 GFN0-xTB: Basic           OK             31.35s
82/95 GFN0-xTB: Solvation       OK             33.97s
83/95 GFN0-xTB: SP              OK             2.54s
84/95 GFN0-xTB: API             OK             2.48s
85/95 GFN0-xTB: SRB             OK             6.68s
86/95 GFN0-xTB: SP  (PBC)       OK             4.06s
87/95 GFN0-xTB: API (PBC)       OK             3.28s
88/95 GFN0-xTB: SRB (PBC)       OK             14.72s
89/95 GFN-FF: Basic             OK             4.50s
90/95 GFN-FF: Solvation         OK             6.45s
91/95 GFN-FF: SP                OK             1.53s
92/95 GFN-FF: HB                OK             1.47s
93/95 GFN-FF: GBSA              OK             1.42s
94/95 GFN-FF: Scale-up          OK             9.29s
95/95 GFN-FF: PDB               OK             5.69s
Ok:                 85  
Expected Fail:      3   
Fail:               4   
Unexpected Pass:    0   
Skipped:            3   
Timeout:            0   
The output from the failed tests:
66/95 GFN2-xTB: Basic           FAIL           73.06s (exit status 1)
--- command ---
13:16:20 XTBPATH='/builddir/build/BUILD/xtb-6.3.2' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.2/python' /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn2 basic
--- Listing only the last 100 lines from a long log. ---
  12    -23.8845837 -0.185532E-02  0.521E-01    0.16       1.0  T
  13    -23.8843174  0.266326E-03  0.383E-01    0.13       1.0  T
  14    -23.8570710  0.272463E-01  0.218E+00    0.07       1.0  T
  15    -23.8750217 -0.179507E-01  0.126E+00    0.09       1.0  T
  16    -23.8816112 -0.658949E-02  0.723E-01    0.11       1.0  T
  17    -23.8834061 -0.179488E-02  0.479E-01    0.12       1.0  T
  18    -23.8834278 -0.217712E-04  0.475E-01    0.12       1.0  T
  19    -23.8846944 -0.126661E-02  0.118E-01    0.14       1.0  T
  20    -23.8847491 -0.546238E-04  0.667E-02    0.14       1.0  T
  21    -22.8351207  0.104963E+01  0.124E+01    1.66       1.0  T
  22    -23.8847740 -0.104965E+01  0.106E-02    0.15       2.4  T
  23    -23.8847743 -0.368872E-06  0.728E-03    0.15       3.4  T
  24    -23.8847740  0.332162E-06  0.134E-02    0.15       1.9  T
  25    -23.8847738  0.214027E-06  0.145E-02    0.15       1.7  T
  26    -23.8847741 -0.333931E-06  0.113E-02    0.15       2.2  T
  27    -23.8847744 -0.293142E-06  0.561E-03    0.15       4.5  T
  28    -23.8847744  0.117893E-07  0.592E-03    0.15       4.2  T
  29    -23.8847744 -0.138768E-07  0.539E-03    0.15       4.6  T
  30    -23.8847744 -0.655654E-08  0.506E-03    0.15       4.9  T
  31    -23.8847744 -0.247336E-08  0.492E-03    0.15       5.1  T
  32    -23.8847744 -0.898783E-09  0.485E-03    0.15       5.2  T
  33    -23.8847744  0.430660E-10  0.485E-03    0.15       5.2  T
  34    -23.8847744 -0.429736E-10  0.485E-03    0.15       5.2  T
  35    -23.8847744 -0.205663E-09  0.483E-03    0.15       5.2  T
  36    -23.8847744 -0.434163E-09  0.478E-03    0.15       5.2  T
  37    -23.8847744 -0.268746E-08  0.448E-03    0.15       5.6  T
  38    -23.8847744 -0.124276E-07  0.276E-03    0.15       9.1  T
  39    -23.8847745 -0.699706E-08  0.905E-04    0.15      27.6  T
  40    -23.8847745 -0.984940E-09  0.779E-05    0.15     320.8  T
   *** convergence criteria satisfied after 40 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000           -0.7360098             -20.0278
       ...           ...                  ...                  ...
        16        2.0000           -0.4109816             -11.1834
        17        2.0000           -0.3884942             -10.5715
        18        2.0000           -0.3761964             -10.2368
        19        2.0000           -0.3482736              -9.4770
        20        2.0000           -0.3391124              -9.2277
        21        2.0000           -0.3281563              -8.9296
        22        1.8939           -0.2770040              -7.5377 (HOMO)
        23        0.1061           -0.2715274              -7.3886 (LUMO)
        24                         -0.2169596              -5.9038
        25                         -0.1874530              -5.1009
        26                         -0.1770624              -4.8181
        27                         -0.1582502              -4.3062
       ...                                ...                  ...
        61                          3.2444060              88.2848
      -------------------------------------------------------------
                  HL-Gap            0.0054766 Eh            0.1490 eV
             Fermi-level           -0.2742657 Eh           -7.4631 eV
 SCC (total)                   0 d,  0 h,  0 min, 35.423 sec
 SCC setup                      ...        0 min,  0.018 sec (  0.052%)
 Dispersion                     ...        0 min,  0.009 sec (  0.025%)
 classical contributions        ...        0 min,  0.008 sec (  0.023%)
 integral evaluation            ...        0 min,  0.739 sec (  2.087%)
 iterations                     ...        0 min, 33.358 sec ( 94.172%)
 molecular gradient             ...        0 min,  1.139 sec (  3.216%)
 printout                       ...        0 min,  0.148 sec (  0.419%)
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         ::                     SUMMARY                     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         :: total energy             -23.718708414932 Eh    ::
         :: gradient norm              0.041799484650 Eh/a0 ::
         :: HOMO-LUMO gap              0.149026960682 eV    ::
         ::.................................................::
         :: SCC energy               -23.884774455230 Eh    ::
         :: -> isotropic ES            0.248073927673 Eh    ::
         :: -> anisotropic ES         -0.008469878769 Eh    ::
         :: -> anisotropic XC          0.004018787586 Eh    ::
         :: -> dispersion             -0.013437579991 Eh    ::
         :: repulsion energy           0.166005317605 Eh    ::
         :: add. restraining           0.000000000000 Eh    ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fed9604bf in ???
#1  0x3fed960dd3 in ???
#2  0x3fed961bbb in ???
#3  0x2ac4e28871 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2ac4de869f in test_gfn2_mindless_basic_
	at ../TESTSUITE/gfn2.f90:573
#5  0x2ac4d9a46b in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:74
#6  0x2ac4d9a46b in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.41799484649519E-01 ==  0.41799573067490E-01 FAILED
assertion:  0.14902696068189     ==  0.14903454480300     FAILED
abnormal termination of test
-------
67/95 GFN2-xTB: Solvation       FAIL           97.68s (exit status 1)
--- command ---
13:16:26 XTBPATH='/builddir/build/BUILD/xtb-6.3.2' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.2/python' /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn2 solvation
--- Listing only the last 100 lines from a long log. ---
  17    -22.9288709 -0.204705E-04  0.249E-01    1.23       1.0  T
  18    -22.9288835 -0.126255E-04  0.237E-01    1.23       1.0  T
  19    -22.9288863 -0.280287E-05  0.234E-01    1.23       1.0  T
  20    -22.9289020 -0.156510E-04  0.215E-01    1.23       1.0  T
  21    -22.9289188 -0.168515E-04  0.197E-01    1.24       1.0  T
  22    -22.9289287 -0.989782E-05  0.180E-01    1.24       1.0  T
  23    -22.9289447 -0.159459E-04  0.150E-01    1.24       1.0  T
  24    -22.9289560 -0.112929E-04  0.116E-01    1.24       1.0  T
  25    -22.9289573 -0.136940E-05  0.104E-01    1.24       1.0  T
  26    -22.9289562  0.115613E-05  0.100E-01    1.24       1.0  T
  27    -22.9289560  0.182011E-06  0.996E-02    1.24       1.0  T
  28    -22.9289563 -0.326927E-06  0.989E-02    1.24       1.0  T
  29    -22.9289563  0.448603E-08  0.984E-02    1.24       1.0  T
  30    -22.9289563 -0.425958E-08  0.982E-02    1.24       1.0  T
  31    -22.9289568 -0.497591E-06  0.954E-02    1.24       1.0  T
  32    -22.9289578 -0.990694E-06  0.882E-02    1.24       1.0  T
  33    -22.9289591 -0.128159E-05  0.738E-02    1.24       1.0  T
  34    -22.9289604 -0.127525E-05  0.554E-02    1.24       1.0  T
  35    -22.9289613 -0.909081E-06  0.354E-02    1.24       1.0  T
  36    -22.9289617 -0.416278E-06  0.189E-02    1.24       1.3  T
  37    -22.9289618 -0.131502E-06  0.722E-03    1.24       3.5  T
  38    -22.9289618 -0.202349E-07  0.590E-04    1.24      42.3  T
  39    -22.9289618 -0.443229E-09  0.409E-04    1.24      61.1  T
   *** convergence criteria satisfied after 39 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000           -0.8207785             -22.3345
       ...           ...                  ...                  ...
        16        2.0000           -0.4358403             -11.8598
        17        2.0000           -0.4283077             -11.6548
        18        2.0000           -0.4004428             -10.8966
        19        2.0000           -0.3559560              -9.6861
        20        2.0000           -0.3446134              -9.3774
        21        2.0000           -0.3253243              -8.8525
        22        2.0000           -0.2991051              -8.1391 (HOMO)
        23                         -0.2534299              -6.8962 (LUMO)
        24                         -0.2326901              -6.3318
        25                         -0.2141207              -5.8265
        26                         -0.2040908              -5.5536
        27                         -0.1833447              -4.9891
       ...                                ...                  ...
        58                          1.6831050              45.7996
      -------------------------------------------------------------
                  HL-Gap            0.0456752 Eh            1.2429 eV
             Fermi-level           -0.2762675 Eh           -7.5176 eV
 SCC (total)                   0 d,  0 h,  0 min, 31.475 sec
 SCC setup                      ...        0 min,  0.053 sec (  0.169%)
 Dispersion                     ...        0 min,  0.007 sec (  0.021%)
 classical contributions        ...        0 min,  0.004 sec (  0.014%)
 integral evaluation            ...        0 min,  0.440 sec (  1.398%)
 iterations                     ...        0 min, 30.117 sec ( 95.685%)
 molecular gradient             ...        0 min,  0.787 sec (  2.501%)
 printout                       ...        0 min,  0.065 sec (  0.207%)
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         ::                     SUMMARY                     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         :: total energy             -22.759033677598 Eh    ::
         :: total w/o Gsasa/hb       -22.755685784501 Eh    ::
         :: gradient norm              0.073196555594 Eh/a0 ::
         :: HOMO-LUMO gap              1.242884675132 eV    ::
         ::.................................................::
         :: SCC energy               -22.928961848734 Eh    ::
         :: -> isotropic ES            0.115362750107 Eh    ::
         :: -> anisotropic ES         -0.010550904174 Eh    ::
         :: -> anisotropic XC         -0.003769620529 Eh    ::
         :: -> dispersion             -0.013233275436 Eh    ::
         :: -> Gsolv                  -0.008482121072 Eh    ::
         ::    -> Gborn               -0.005134227975 Eh    ::
         ::    -> Gsasa               -0.004129467080 Eh    ::
         ::    -> Ghb                 -0.001265701370 Eh    ::
         ::    -> Gshift               0.002047275352 Eh    ::
         :: repulsion energy           0.169885824400 Eh    ::
         :: add. restraining           0.000000000000 Eh    ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3ff19114bf in ???
#1  0x3ff1911dd3 in ???
#2  0x3ff1912bbb in ???
#3  0x2adc9dd871 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2adc99ef33 in test_gfn2_mindless_solvation_
	at ../TESTSUITE/gfn2.f90:662
#5  0x2adc94f477 in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:75
#6  0x2adc94f477 in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.73196555593713E-01 ==  0.73197307180171E-01 FAILED
assertion:   1.2428846751317     ==   1.2428812469179     FAILED
abnormal termination of test
-------
72/95 GFN2-xTB: d-Metal         FAIL           12.09s (exit status 1)
--- command ---
13:16:50 XTBPATH='/builddir/build/BUILD/xtb-6.3.2' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.2/python' /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn2 d-metal
--- stdout ---
   1    -34.1057764 -0.341058E+02  0.123E+01    4.21       0.0  T
   2    -34.1346042 -0.288278E-01  0.717E+00    2.20       1.0  T
   3    -34.2204646 -0.858604E-01  0.598E+00    3.71       1.0  T
   4    -34.3376243 -0.117160E+00  0.167E+00    2.80       1.0  T
   5    -34.3622412 -0.246168E-01  0.398E-01    2.86       1.0  T
   6    -34.3632634 -0.102227E-02  0.549E-02    2.92       1.0  T
   7    -34.3632294  0.340035E-04  0.842E-02    2.93       1.0  T
   8    -34.3632653 -0.358993E-04  0.170E-02    2.92       1.8  T
   9    -34.3632671 -0.174285E-05  0.430E-03    2.92       7.0  T
  10    -34.3632672 -0.924363E-07  0.165E-03    2.92      18.3  T
  11    -34.3632671  0.783927E-08  0.177E-03    2.92      17.0  T
  12    -33.0601609  0.130311E+01  0.714E+00    1.83       1.0  T
  13    -34.3632672 -0.130311E+01  0.131E-03    2.92      23.0  T
  14    -34.3632672 -0.934807E-08  0.800E-04    2.92      37.7  T
  15    -34.3632672 -0.130103E-08  0.635E-04    2.92      47.5  T
     SCC iter.                  ...        0 min,  8.973 sec
     gradient                   ...        0 min,  0.714 sec
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fc383f4bf in ???
#1  0x3fc383fdd3 in ???
#2  0x3fc3840bbb in ???
#3  0x2ac42d2871 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2ac4295779 in test_gfn2_dmetal_
	at ../TESTSUITE/gfn2.f90:738
#5  0x2ac4244465 in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:81
#6  0x2ac4244465 in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.26985476037248     ==  0.26985488354859     FAILED
assertion:   2.9239657010045     ==   2.9239308006972     FAILED
abnormal termination of test
-------
74/95 GFN1-xTB: Solvation       FAIL           143.80s (exit status 1)
--- command ---
13:17:03 XTBPATH='/builddir/build/BUILD/xtb-6.3.2' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu' PYTHONPATH='/builddir/build/BUILD/xtb-6.3.2/python' /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/TESTSUITE/xtb_test gfn1 solvation
--- Listing only the last 100 lines from a long log. ---
          :  Broyden damping             0.4000000          :
          ...................................................
 iter      E             dE          RMSdq      gap      omega  full diag
   1    -33.1775797 -0.331776E+02  0.877E+00    1.35       0.0  T
   2    -33.2684820 -0.909023E-01  0.510E+00    1.38       1.0  T
   3    -33.2666047  0.187730E-02  0.122E+00    1.32       1.0  T
   4    -33.2723280 -0.572322E-02  0.485E-01    1.36       1.0  T
   5    -33.2755461 -0.321818E-02  0.306E-02    1.36       1.0  T
   6    -33.1093591  0.166187E+00  0.182E+00    1.29       1.0  T
   7    -33.2755521 -0.166193E+00  0.739E-03    1.36       3.4  T
   8    -33.2755526 -0.478891E-06  0.175E-03    1.35      14.3  T
   9    -33.2755526 -0.160684E-07  0.519E-04    1.35      48.1  T
  10    -33.2755526 -0.291351E-09  0.362E-04    1.35      69.0  T
  11    -33.2755526  0.190667E-09  0.352E-04    1.35      71.0  T
  12    -33.2755526  0.646097E-10  0.346E-04    1.35      72.2  T
  13    -33.2755526 -0.291323E-11  0.345E-04    1.35      72.4  T
  14    -33.2755526  0.150564E-10  0.347E-04    1.35      72.1  T
  15    -33.2755526  0.175504E-11  0.347E-04    1.35      72.1  T
  16    -33.2755526  0.216005E-11  0.347E-04    1.35      72.0  T
  17    -33.2755526 -0.241585E-12  0.347E-04    1.35      72.0  T
  18    -33.2755526 -0.904663E-10  0.339E-04    1.35      73.7  T
  19    -33.2755526 -0.129986E-08  0.190E-04    1.35     131.6  T
  20    -33.2755526 -0.584564E-09  0.250E-05    1.35     999.9  T
   *** convergence criteria satisfied after 20 iterations ***
         #    Occupation            Energy/Eh            Energy/eV
      -------------------------------------------------------------
         1        2.0000           -0.8137338             -22.1428
       ...           ...                  ...                  ...
        21        2.0000           -0.4735837             -12.8869
        22        2.0000           -0.4667921             -12.7021
        23        2.0000           -0.4528389             -12.3224
        24        2.0000           -0.4325860             -11.7713
        25        2.0000           -0.4143191             -11.2742
        26        2.0000           -0.3888728             -10.5818
        27        1.0000           -0.3038487              -8.2681 (HOMO)
        28                         -0.2540672              -6.9135 (LUMO)
        29                         -0.1863687              -5.0713
        30                         -0.1399928              -3.8094
        31                         -0.1229228              -3.3449
        32                         -0.0936341              -2.5479
       ...                                ...                  ...
        59                          0.6739516              18.3392
      -------------------------------------------------------------
                  HL-Gap            0.0497815 Eh            1.3546 eV
             Fermi-level           -0.3126593 Eh           -8.5079 eV
 SCC (total)                   0 d,  0 h,  0 min, 18.926 sec
 SCC setup                      ...        0 min,  0.053 sec (  0.279%)
 Dispersion                     ...        0 min,  0.009 sec (  0.045%)
 classical contributions        ...        0 min,  0.005 sec (  0.028%)
 integral evaluation            ...        0 min,  1.484 sec (  7.842%)
 iterations                     ...        0 min, 15.680 sec ( 82.850%)
 molecular gradient             ...        0 min,  1.563 sec (  8.259%)
 printout                       ...        0 min,  0.131 sec (  0.690%)
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         ::                     SUMMARY                     ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
         :: total energy             -33.103345507515 Eh    ::
         :: total w/o Gsasa/hb       -33.093591135548 Eh    ::
         :: gradient norm              0.059227113653 Eh/a0 ::
         :: HOMO-LUMO gap              1.354624790764 eV    ::
         ::.................................................::
         :: SCC energy               -33.275552605881 Eh    ::
         :: -> electrostatic           0.145815599133 Eh    ::
         :: -> Gsolv                  -0.014992153520 Eh    ::
         ::    -> Gborn               -0.005237781552 Eh    ::
         ::    -> Gsasa               -0.011611811201 Eh    ::
         ::    -> Ghb                 -0.000520787552 Eh    ::
         ::    -> Gshift               0.002378226786 Eh    ::
         :: repulsion energy           0.181177999022 Eh    ::
         :: dispersion energy         -0.008970900656 Eh    ::
         :: halogen bond corr.         0.000000000000 Eh    ::
         :: add. restraining           0.000000000000 Eh    ::
         :::::::::::::::::::::::::::::::::::::::::::::::::::::
--- stderr ---
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG
ERROR STOP 
Error termination. Backtrace:
#0  0x3fc30514bf in ???
#1  0x3fc3051dd3 in ???
#2  0x3fc3052bbb in ???
#3  0x2ad75d9871 in terminate_
	at ../src/mctc/error.f90:65
#4  0x2ad758f903 in test_gfn1_mindless_solvation_
	at ../TESTSUITE/gfn1.f90:728
#5  0x2ad754b41d in peeq_tester
	at ../TESTSUITE/tests_peeq.f90:86
#6  0x2ad754b41d in main
	at ../TESTSUITE/tests_peeq.f90:2
assertion:  0.59227113652611E-01 ==  0.59227312312586E-01 FAILED
assertion:   1.3546247907636     ==   1.3546253158640     FAILED
abnormal termination of test
-------
Full log written to /builddir/build/BUILD/xtb-6.3.2/riscv64-redhat-linux-gnu/meson-logs/testlog.txt
RPM build errors:
error: Bad exit status from /var/tmp/rpm-tmp.ZzM1Jp (%check)
    Bad exit status from /var/tmp/rpm-tmp.ZzM1Jp (%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