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-327783-58040/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 0x3fcb8aa700>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=1593475200
Wrote: /builddir/build/SRPMS/xtb-6.3.1-5.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-327783-58040/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 0x3fcb8aa700>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=1593475200
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.EydvLj
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf xtb-6.3.1
+ /usr/bin/tar -xof -
+ /usr/bin/gzip -dc /builddir/build/SOURCES/xtb-6.3.1.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd xtb-6.3.1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ echo 'Patch #0 (xtb-6.3.1-fedoraver.patch):'
Patch #0 (xtb-6.3.1-fedoraver.patch):
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .fedoraver --fuzz=0
patching file meson.build
patching file src/type/environment.f90
+ echo 'Patch #1 (xtb-6.3.1-timeout.patch):'
Patch #1 (xtb-6.3.1-timeout.patch):
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .testtimeout --fuzz=0
patching file TESTSUITE/meson.build
patching file TESTSUITE/meson.build
patching file meson_options.txt
patching file TESTSUITE/meson.build
patching file meson_options.txt
+ 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
+ echo 'Patch #3 (xtb-6.3.1-wsc.patch):'
Patch #3 (xtb-6.3.1-wsc.patch):
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .wsc --fuzz=0
patching file src/generate_wsc.f90
patching file src/gfnff/calculator.f90
patching file src/type/dummycalc.f90
patching file src/type/molecule.f90
patching file src/xtb/calculator.f90
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.qiPTri
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.1
+ 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=openblaso -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-6.3.1/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.1/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-6.3.1/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
The Meson build system
Version: 0.55.0
Source dir: /builddir/build/BUILD/xtb-6.3.1
Build dir: /builddir/build/BUILD/xtb-6.3.1/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: 6.3.1
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 openblaso 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
Build targets in project: 5
Option includedir is: include [default: include/xtb]
Option buildtype is: plain [default: release]
Found ninja-1.10.0 at /usr/bin/ninja
++ date
+ date='Mon Aug 17 09:12:26 EDT 2020'
+ cat
+ /usr/bin/meson compile -C riscv64-redhat-linux-gnu -j 4 --verbose
ninja: Entering directory `riscv64-redhat-linux-gnu'
[1/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[2/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[3/522] true
[4/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[5/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[6/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[7/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[8/522] true
[9/522] true
[10/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[11/522] true
[12/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[13/522] true
[14/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[15/522] true
[16/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[17/522] true
[18/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[19/522] true
[20/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[21/522] true
[22/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[23/522] true
[24/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[25/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[26/522] true
[27/522] true
[28/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[29/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[30/522] true
[31/522] true
[32/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[33/522] true
[34/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[35/522] true
[36/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[37/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[38/522] true
[39/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[40/522] true
[41/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[42/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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(:)
      | 
[43/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[44/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[45/522] true
[46/522] true
[47/522] true
[48/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[49/522] true
[50/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[51/522] true
[52/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[53/522] true
[54/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[55/522] true
[56/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[57/522] true
[58/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[59/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[60/522] true
[61/522] true
[62/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[63/522] true
[64/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[65/522] true
[66/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[67/522] true
[68/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[69/522] true
[70/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[71/522] true
[72/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[73/522] true
[74/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[75/522] true
[76/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[77/522] true
[78/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[79/522] true
[80/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[81/522] true
[82/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[83/522] true
[84/522] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -std=c11 -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 -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
[85/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[86/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[87/522] true
[88/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[89/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[90/522] true
[91/522] true
[92/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[93/522] true
[94/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[95/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[96/522] true
[97/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[98/522] true
[99/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[100/522] true
[101/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[102/522] true
[103/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[104/522] true
[105/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[106/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[107/522] true
[108/522] true
[109/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[110/522] true
[111/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[112/522] true
[113/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[114/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[115/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:265:63:
  265 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                                               1
Warning: Unused variable ‘d10’ declared at (1) [-Wunused-variable]
../src/gfnff/gdisp0.f90:265:50:
  265 |    real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10
      |                                                  1
Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable]
../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]
[116/522] true
[117/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[118/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:250:17:
  250 | 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.f90:259:22:
  259 |    logical :: isError0
      |                      1
Warning: Unused variable ‘iserror0’ declared at (1) [-Wunused-variable]
../src/type/environment.f90:201:18:
  201 |    integer :: iLog
      |                  1
Warning: Unused variable ‘ilog’ declared at (1) [-Wunused-variable]
[119/522] true
[120/522] true
[121/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[122/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[123/522] true
[124/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[125/522] true
[126/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[127/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[128/522] true
[129/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[130/522] true
[131/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[132/522] true
[133/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[134/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[135/522] true
[136/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[137/522] true
[138/522] true
[139/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[140/522] true
[141/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[142/522] true
[143/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[144/522] true
[145/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_solvent.f90.o -c ../src/type/solvent.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/solvent.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/solvent.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[146/522] true
[147/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[148/522] true
[149/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[150/522] true
[151/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[152/522] true
[153/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[154/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[155/522] true
[156/522] true
[157/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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)
      | 
[158/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[159/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[160/522] true
[161/522] true
[162/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[163/522] true
[164/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_vendordata.f90.o -c ../src/type/vendordata.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/vendordata.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/vendordata.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[165/522] true
[166/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:32:25:
   32 | real(wp) :: dist,bkk,bkkd,bkkda
      |                         1
Warning: Unused variable ‘bkkd’ declared at (1) [-Wunused-variable]
[167/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[168/522] true
[169/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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))))
      | 
[170/522] true
[171/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[172/522] true
[173/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[174/522] true
[175/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[176/522] true
[177/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[178/522] true
[179/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[180/522] true
[181/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:682:42:
  682 |    integer :: nElem, iZp, iSh, lAng, iKind
      |                                          1
Warning: Unused variable ‘ikind’ declared at (1) [-Wunused-variable]
../src/xtb/data.f90:611:35:
  611 | subroutine initCoulomb(self, nShell, chemicalHardness, shellHardness, &
      |                                   1
Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument]
../src/xtb/data.f90:360:36:
  360 | subroutine writeInfo(self, unit, num)
      |                                    1
Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument]
[182/522] true
[183/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[184/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[185/522] true
[186/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[187/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[188/522] true
[189/522] true
[190/522] true
[191/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[192/522] true
[193/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[194/522] true
[195/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[196/522] true
[197/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[198/522] true
[199/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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)
      | 
[200/522] true
[201/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[202/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[203/522] true
[204/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[205/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[206/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[207/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      | 
[208/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[209/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[210/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[211/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[212/522] true
[213/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[214/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[215/522] true
[216/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[217/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      |                ^
[218/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[219/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[220/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[221/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[222/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[223/522] true
[224/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[225/522] true
[226/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[227/522] true
[228/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:427:18:
  427 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:406:18:
  406 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:386:18:
  386 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:369:18:
  369 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:354:18:
  354 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:340:16:
  340 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:340:18:
  340 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:328:16:
  328 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:328:18:
  328 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:318:16:
  318 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:318:18:
  318 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
[229/522] true
[230/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[231/522] true
[232/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[233/522] true
[234/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      |                                                  ^
[235/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[236/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[237/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:1048:65:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                                 1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:57:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                         1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:39:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                       1
Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:49:
 1048 |    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/intgrad.f90:1048:46:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                              1
Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable]
../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.f90:1048:69:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                                     1
Warning: Unused variable ‘est’ 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.f90:1045:56:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                                        1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1054:13:
 1054 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1055:60:
 1055 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ 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.f90:1054:16:
 1054 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1055:66:
 1055 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1054:65:
 1054 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax
      |                                                                 1
Warning: Unused variable ‘jshmax’ 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.f90:1055:50:
 1055 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1055:54:
 1055 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ 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.f90:1058:22:
 1058 |    real(wp) :: saw(10)
      |                      1
Warning: Unused variable ‘saw’ 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.f90:1046:16:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:21:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ 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]
[238/522] true
[239/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[240/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[241/522] true
[242/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[243/522] true
[244/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[245/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[246/522] true
[247/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[248/522] true
[249/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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)
      | 
[250/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[251/522] true
[252/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[253/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:1092:40:
 1092 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                        1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../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.f90:1097:16:
 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 ‘k’ 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]
[254/522] true
[255/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[256/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[257/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[258/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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)
      | 
[259/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[260/522] true
[261/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[262/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[263/522] true
[264/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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)
      | 
[265/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:1774:22:
 1774 | subroutine mh_eeq(n,at,xyz,chrg,chrgeq,kq,hess)
      |                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../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
      |                                  ^
[266/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[267/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[268/522] true
[269/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[270/522] true
[271/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[272/522] true
[273/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[274/522] true
[275/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      | 
[276/522] true
[277/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[278/522] true
[279/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[280/522] true
[281/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[282/522] true
[283/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[284/522] true
[285/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[286/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[287/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[288/522] true
[289/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[290/522] true
[291/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[292/522] true
[293/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[294/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[295/522] true
[296/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[297/522] true
[298/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[299/522] true
[300/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[301/522] true
[302/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[303/522] true
[304/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[305/522] true
[306/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[307/522] true
[308/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[309/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[310/522] true
[311/522] true
[312/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[313/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[314/522] true
[315/522] true
[316/522] true
[317/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[318/522] true
[319/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[320/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[321/522] true
[322/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:1878:72:
 1878 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                                        1
Warning: Unused variable ‘dedq’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1878:53:
 1878 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                     1
Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1692:53:
 1692 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                     1
Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1457:60:
 1457 |    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]
[323/522] true
[324/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[325/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[326/522] true
[327/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[328/522] true
[329/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[330/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[331/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[332/522] true
[333/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[334/522] true
[335/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[336/522] true
[337/522] true
[338/522] true
[339/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[340/522] true
[341/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[342/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[343/522] true
[344/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[345/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[346/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[347/522] true
[348/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[349/522] true
[350/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[351/522] true
[352/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[353/522] true
[354/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[355/522] true
[356/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[357/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      | 
[358/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[359/522] true
[360/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[361/522] true
[362/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[363/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      | 
[364/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[365/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[366/522] true
[367/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[368/522] true
[369/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[370/522] true
[371/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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 = ''
      | 
[372/522] true
[373/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[374/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[375/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[376/522] true
[377/522] true
[378/522] true
[379/522] true
[380/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[381/522] true
[382/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[383/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[384/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[385/522] true
[386/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[387/522] true
[388/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[389/522] true
[390/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[391/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:130:16:
  130 |    integer  :: i,j,k,l,m
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:18:
  131 |    integer  :: iat,jat
      |                  1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:132:19:
  132 |    integer  :: imax,imin
      |                   1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:132:24:
  132 |    integer  :: imax,imin
      |                        1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:130:18:
  130 |    integer  :: i,j,k,l,m
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:22:
  131 |    integer  :: iat,jat
      |                      1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:130:20:
  130 |    integer  :: i,j,k,l,m
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:130:22:
  130 |    integer  :: i,j,k,l,m
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:130:24:
  130 |    integer  :: i,j,k,l,m
      |                        1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:148:25:
  148 |    real(wp) :: moments(3)
      |                         1
Warning: Unused variable ‘moments’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:319:18:
  319 |    integer :: imax,imin
      |                  1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:319:23:
  319 |    integer :: imax,imin
      |                       1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:458:29:
  458 | 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.f90:287:18:
  287 |    integer :: imax,imin
      |                  1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:287:23:
  287 |    integer :: imax,imin
      |                       1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:415:27:
  415 | subroutine calc_angles(n,at,xyz,bond,maxbend,nbend,bend,ib)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
[392/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[393/522] true
[394/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_gbobc.f90.o -c ../src/solv/gbobc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/gbobc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/gbobc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/gbobc.f90:1699:18:
 1699 |    real(wp) rcutn2,lrcut2,srcut2
      |                  1
Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1611:18:
 1611 |    real(wp) rcutn2,lrcut2,srcut2
      |                  1
Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1546:21:
 1546 |    real(wp) :: uj,uj3,ah3uj2
      |                     1
Warning: Unused variable ‘uj3’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1459:18:
 1459 |    integer iat,jat
      |                  1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1460:24:
 1460 |    integer ip,jj,nnj,nnk
      |                        1
Warning: Unused variable ‘nnk’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1210:31:
 1210 |    real(wp) :: rh1,rhr1,r24,rh2,r1,aprh1,r12
      |                               1
Warning: Unused variable ‘rh2’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1164:16:
 1164 |    real(wp) alpi,beti,gami
      |                1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1164:21:
 1164 |    real(wp) alpi,beti,gami
      |                     1
Warning: Unused variable ‘beti’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1164:26:
 1164 |    real(wp) alpi,beti,gami
      |                          1
Warning: Unused variable ‘gami’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1115:12:
 1115 |    integer i,j,kk
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1115:14:
 1115 |    integer i,j,kk
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1115:17:
 1115 |    integer i,j,kk
      |                 1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1090:18:
 1090 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1029:25:
 1029 |    real(wp) :: hbed,dhbed
      |                         1
Warning: Unused variable ‘dhbed’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1031:23:
 1031 |    real(wp) :: sfw,dsfw,w3,w2,w1
      |                       1
Warning: Unused variable ‘dsfw’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1029:19:
 1029 |    real(wp) :: hbed,dhbed
      |                   1
Warning: Unused variable ‘hbed’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1032:16:
 1032 |    integer  :: j
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1030:32:
 1030 |    real(wp) :: smaxd,sasad,sasaw
      |                                1
Warning: Unused variable ‘sasaw’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1031:18:
 1031 |    real(wp) :: sfw,dsfw,w3,w2,w1
      |                  1
Warning: Unused variable ‘sfw’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1031:32:
 1031 |    real(wp) :: sfw,dsfw,w3,w2,w1
      |                                1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1031:29:
 1031 |    real(wp) :: sfw,dsfw,w3,w2,w1
      |                             1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1031:26:
 1031 |    real(wp) :: sfw,dsfw,w3,w2,w1
      |                          1
Warning: Unused variable ‘w3’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1033:22:
 1033 |    real(wp) :: wbh,wah
      |                      1
Warning: Unused variable ‘wah’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1033:18:
 1033 |    real(wp) :: wbh,wah
      |                  1
Warning: Unused variable ‘wbh’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1021:36:
 1021 | pure subroutine compute_fhb(this,xyz)
      |                                    1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/solv/gbobc.f90:880:33:
  880 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:877:33:
  877 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:873:19:
  873 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:863:57:
  863 | subroutine compute_gb_egrad(this,q,gborn,ghb,gradient,lpr)
      |                                                         1
Warning: Unused dummy argument ‘lpr’ at (1) [-Wunused-dummy-argument]
../src/solv/gbobc.f90:873:23:
  873 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:880:24:
  880 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:880:28:
  880 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:880:20:
  880 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:727:30:
  727 |    real(wp) :: gg,expa,epu,aii,egb
      |                              1
Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:728:33:
  728 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:725:33:
  725 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:720:19:
  720 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:709:66:
  709 | pure subroutine compute_gb_damat(this,q,gborn,ghb,dAmatdr,Afac,lpr)
      |                                                                  1
Warning: Unused dummy argument ‘lpr’ at (1) [-Wunused-dummy-argument]
../src/solv/gbobc.f90:720:23:
  720 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:728:24:
  728 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:728:28:
  728 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:728:20:
  728 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:636:22:
  636 |    integer  :: i,j,nnj
      |                      1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:560:33:
  560 |    real(wp) :: aa,r2,gg,iepsu,arg,bp
      |                                 1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:556:34:
  556 |    real(wp), allocatable :: fhb(:)
      |                                  1
Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:554:22:
  554 |    integer  :: i,j,nnj
      |                      1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:489:59:
  489 |    real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:)
      |                                                           1
Warning: Unused variable ‘wang’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:489:35:
  489 |    real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:)
      |                                   1
Warning: Unused variable ‘xang’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:489:43:
  489 |    real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:)
      |                                           1
Warning: Unused variable ‘yang’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:489:51:
  489 |    real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:)
      |                                                   1
Warning: Unused variable ‘zang’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:373:24:
  373 |    character(len=80) a80
      |                        1
Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:370:55:
  370 |    real(wp) :: gamma_in, rvdwscal, tmp(94), gstate, dum
      |                                                       1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:372:13:
  372 |    logical ex
      |             1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:368:19:
  368 |    integer :: i,fix,inum,ich
      |                   1
Warning: Unused variable ‘fix’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:371:40:
  371 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:374:38:
  374 |    type(gbsa_parameter) :: gfn_solvent
      |                                      1
Warning: Unused variable ‘gfn_solvent’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:368:28:
  368 |    integer :: i,fix,inum,ich
      |                            1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:368:24:
  368 |    integer :: i,fix,inum,ich
      |                        1
Warning: Unused variable ‘inum’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:369:18:
  369 |    real(wp) :: rad
      |                  1
Warning: Unused variable ‘rad’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:235:24:
  235 |    character(len=80) a80
      |                        1
Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:232:45:
  232 |    real(wp) :: gamma_in, tmp(94), gstate, dum
      |                                             1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:230:19:
  230 |    integer :: i,fix,inum,ich
      |                   1
Warning: Unused variable ‘fix’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:232:23:
  232 |    real(wp) :: gamma_in, tmp(94), gstate, dum
      |                       1
Warning: Unused variable ‘gamma_in’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:232:40:
  232 |    real(wp) :: gamma_in, tmp(94), gstate, dum
      |                                        1
Warning: Unused variable ‘gstate’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:230:15:
  230 |    integer :: i,fix,inum,ich
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:230:24:
  230 |    integer :: i,fix,inum,ich
      |                        1
Warning: Unused variable ‘inum’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:231:18:
  231 |    real(wp) :: rad
      |                  1
Warning: Unused variable ‘rad’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:232:32:
  232 |    real(wp) :: gamma_in, tmp(94), gstate, dum
      |                                1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/solv/gbobc.f90:1753:0:
 1753 | pure subroutine update_dist_gbsa(this,xyz)
      | 
Warning: ‘update_dist_gbsa’ defined but not used [-Wunused-function]
../src/solv/gbobc.f90: In function ‘__xtb_solv_gbobc_MOD_compute_brad_sasa’:
../src/solv/gbobc.f90:1372: warning: ‘r1’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1372 |          dgj=-2.0_wp*rhab/ab+(rhab-lnab)*r1*r1
      | 
../src/solv/gbobc.f90:1210:34: note: ‘r1’ was declared here
 1210 |    real(wp) :: rh1,rhr1,r24,rh2,r1,aprh1,r12
      |                                  ^
[395/522] true
[396/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[397/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[398/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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)
      | 
[399/522] true
[400/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[401/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:851:8:
  851 |    H4 = H
      |        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/scc_core.f90:852:8:
  852 |    S4 = S
      |        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/scc_core.f90:1459:23:
 1459 |    real(wp)  ntot,fracz
      |                       1
Warning: Unused variable ‘fracz’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1447:59:
 1447 | 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.f90:1460:41:
 1460 |    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.f90:1460:14:
 1460 |    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.f90:1460:36:
 1460 |    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.f90:1413:59:
 1413 | 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.f90:1424:45:
 1424 |    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.f90:1424:18:
 1424 |    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.f90:1424:40:
 1424 |    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.f90:1394:17:
 1394 |    integer i,j,ii,jj,js,mmm(20)
      |                 1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1352:23:
 1352 |    integer i,j,ii,jj,ij
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1346:19:
 1346 | subroutine mpopsh(n,nao,nshell,ao2sh,S,P,qsh)
      |                   1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1320:23:
 1320 |    integer i,j,ii,jj,ij,is,js,mmm(20)
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1290:19:
 1290 | subroutine mpopao(n,nao,S,P,qao)
      |                   1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1271:23:
 1271 |    integer i,j,ii,jj,ij,is,js
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1271:26:
 1271 |    integer i,j,ii,jj,ij,is,js
      |                          1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1271:29:
 1271 |    integer i,j,ii,jj,ij,is,js
      |                             1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1242:23:
 1242 |    integer i,j,ii,jj,ij,is,js
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1242:26:
 1242 |    integer i,j,ii,jj,ij,is,js
      |                          1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1242:29:
 1242 |    integer i,j,ii,jj,ij,is,js
      |                             1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1200:31:
 1200 | 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.f90:1020:31:
 1020 |    integer :: ncycle,i,j,m,k,i1,i2
      |                               1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1020:34:
 1020 |    integer :: ncycle,i,j,m,k,i1,i2
      |                                  1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1020:24:
 1020 |    integer :: ncycle,i,j,m,k,i1,i2
      |                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1020:28:
 1020 |    integer :: ncycle,i,j,m,k,i1,i2
      |                            1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1020:26:
 1020 |    integer :: ncycle,i,j,m,k,i1,i2
      |                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:924:36:
  924 | 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.f90:936:12:
  936 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:936:42:
  936 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                          1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:936:14:
  936 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:936:46:
  936 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                              1
Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:936:39:
  936 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                       1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:939:20:
  939 |    real(wp) w0,w1,t0,t1
      |                    1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:939:23:
  939 |    real(wp) w0,w1,t0,t1
      |                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:939:14:
  939 |    real(wp) w0,w1,t0,t1
      |              1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:939:17:
  939 |    real(wp) w0,w1,t0,t1
      |                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:822:37:
  822 | 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.f90:837:35:
  837 |    real(wp),allocatable :: aux  (:)
      |                                   1
Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:835:12:
  835 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:822:33:
  822 | 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.f90:835:42:
  835 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                          1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:835:14:
  835 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:835:46:
  835 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                              1
Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:835:39:
  835 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                       1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:838:20:
  838 |    real(wp) w0,w1,t0,t1
      |                    1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:838:23:
  838 |    real(wp) w0,w1,t0,t1
      |                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:838:14:
  838 |    real(wp) w0,w1,t0,t1
      |              1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:838:17:
  838 |    real(wp) w0,w1,t0,t1
      |                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:755:21:
  755 |    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.f90:698:33:
  698 | pure subroutine electro_gbsa(n,at,gab,fhb,dqsh,es,scc)
      |                                 1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:709:17:
  709 |    real(wp)  :: h,t
      |                 1
Warning: Unused variable ‘h’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:708:19:
  708 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:709:19:
  709 |    real(wp)  :: h,t
      |                   1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:656:28:
  656 | 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.f90:669:18:
  669 |    real(wp) :: ehb ! not used
      |                  1
Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:672:18:
  672 |    real(wp) :: h,t
      |                  1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:370:22:
  370 |    real(wp) :: eh1,dum,tgb
      |                      1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:370:18:
  370 |    real(wp) :: eh1,dum,tgb
      |                  1
Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:367:19:
  367 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                   1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:21:
  368 |    integer  :: ishell,jshell
      |                     1
Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:367:24:
  367 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                        1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:28:
  368 |    integer  :: ishell,jshell
      |                            1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:367:29:
  367 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                             1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:367:31:
  367 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                               1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:367:33:
  367 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:240:23:
  240 |       &        minpr,pr, &
      |                       1
Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:230:33:
  230 |       &        q,dipm,qp,qq,qlmom,qsh,zsh, &
      |                                 1
Warning: Unused dummy argument ‘qlmom’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:369:17:
  369 |    real(wp) :: t8,t9
      |                 1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:369:20:
  369 |    real(wp) :: t8,t9
      |                    1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:370:26:
  370 |    real(wp) :: eh1,dum,tgb
      |                          1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:238:35:
  238 |       &        H0,H,S,dpint,qpint,X,P,ies, &
      |                                   1
Warning: Unused dummy argument ‘x’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:228:26:
  228 | 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.f90:150:61:
  150 |                          H,S,dpint,qpint,vs,vd,vq,aoat2,ao2sh)
      |                                                             1
Warning: Unused dummy argument ‘ao2sh’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:149:32:
  149 | 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.f90:175:21:
  175 |    integer  :: ishell,jshell
      |                     1
Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:175:28:
  175 |    integer  :: ishell,jshell
      |                            1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:174:23:
  174 |    integer  :: ii,jj,kk
      |                       1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:149:44:
  149 | 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.f90:176:25:
  176 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                         1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:176:28:
  176 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                            1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:176:32:
  176 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                                1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:110:32:
  110 |       & H0, S, shellShift, aoat2, ao2sh)
      |                                1
Warning: Unused dummy argument ‘aoat2’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:109:33:
  109 | subroutine buildIsotropicH1(n, at, ndim, nshell, nmat, matlist, H, &
      |                                 1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:128:18:
  128 |    real(wp) :: dum
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:127:17:
  127 |    integer  :: ii,jj,kk
      |                 1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:127:20:
  127 |    integer  :: ii,jj,kk
      |                    1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:127:23:
  127 |    integer  :: ii,jj,kk
      |                       1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:129:21:
  129 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                     1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:129:24:
  129 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                        1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:129:28:
  129 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                            1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
[402/522] true
[403/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[404/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:833:0:
  833 | 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.f90:743:3:
  743 |  20   call ekinet(n,velo,mass,edum)
      |   1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/dynamic.f90:837:9:
  837 |    irand=n*x
      |         1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:241:10:
  241 |    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.f90:242:12:
  242 |    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.f90:265:8:
  265 |    nmax=tmax*1000/tstep0
      |        1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:266:24:
  266 |    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.f90:835:14:
  835 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:800:35:
  800 |    integer, allocatable :: iseed(:)
      |                                   1
Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:799:14:
  799 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:796:14:
  796 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:773:40:
  773 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:725:23:
  725 |       integer iat(n),nh,i,j
      |                       1
Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:670:26:
  670 |       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.f90:576: warning: ‘intgeo.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  576 |             if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes
      | 
../src/dynamic.f90:576: warning: ‘intgeo.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized]
../src/dynamic.f90:592: warning: ‘intgeo.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  592 |          intgeoav = intgeoav + intgeo-intgeo0
      | 
../src/dynamic.f90:592: warning: ‘intgeo.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  592 |          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.f90:572: warning: ‘tmpg.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  572 |          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.f90:572: warning: ‘tmpg.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  572 |          tmpg=mol%xyz/aatoau
      | 
[405/522] true
[406/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:75:35:
   75 |    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.f90:75:39:
   75 |    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.f90:75:43:
   75 |    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.f90:76:42:
   76 |    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.f90:76:46:
   76 |    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.f90:76:54:
   76 |    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.f90:76:34:
   76 |    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.f90:76:50:
   76 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                                  1
Warning: Unused variable ‘t35’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:52:38:
   52 |    real(wp), allocatable  :: dcm5(:,:)
      |                                      1
Warning: Unused variable ‘dcm5’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:53:17:
   53 |    integer :: iat,jat
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:53:21:
   53 |    integer :: iat,jat
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
[407/522] true
[408/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:174:33:
  174 |    integer :: iat, jat, wscAt, ii
      |                                 1
Warning: Unused variable ‘ii’ 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]
[409/522] true
[410/522] true
[411/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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, wfn, printlevel, restart, &
      |                                                               1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
[412/522] true
[413/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:2779:13:
 2779 |          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.f90:2780:13:
 2780 |          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.f90:2781:13:
 2781 |          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.f90:2782:13:
 2782 |          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.f90:2783:12:
 2783 |          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.f90:2518:13:
 2518 |          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.f90:2519:13:
 2519 |          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.f90:2520:13:
 2520 |          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.f90:2521:13:
 2521 |          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.f90:2522:13:
 2522 |          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.f90:2621:13:
 2621 |          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.f90:2210:13:
 2210 |          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.f90:2211:13:
 2211 |          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.f90:2212:13:
 2212 |          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.f90:2213:13:
 2213 |          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.f90:2214:13:
 2214 |          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.f90:2225:13:
 2225 |          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.f90:2226:13:
 2226 |          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.f90:2227:13:
 2227 |          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.f90:2228:13:
 2228 |          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.f90:2357:13:
 2357 |          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.f90:1305:12:
 1305 |          A4=A
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:1306:12:
 1306 |          x4=x
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:704:68:
  704 |            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.f90:3180:38:
 3180 | 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.f90:2900:43:
 2900 |       real*8 drax(3),drbx(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2903:18:
 2903 |       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.f90:2903:24:
 2903 |       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.f90:2907:16:
 2907 |       real*8 gqa,gqb,gqx
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2907:20:
 2907 |       real*8 gqa,gqb,gqx
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2907:24:
 2907 |       real*8 gqa,gqb,gqx
      |                        1
Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2910:15:
 2910 |       integer i,j
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2910:17:
 2910 |       integer i,j
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2905:15:
 2905 |       real*8 qa,qb,qx
      |               1
Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2899:44:
 2899 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                            1
Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2899:49:
 2899 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                                 1
Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2650:23:
 2650 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2669:18:
 2669 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2664:47:
 2664 |       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.f90:2663:35:
 2663 |       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.f90:2663:58:
 2663 |       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.f90:2662:43:
 2662 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2674:17:
 2674 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2673:70:
 2673 |       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.f90:2670:36:
 2670 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2665:51:
 2665 |       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.f90:2678:16:
 2678 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2678:20:
 2678 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2678:24:
 2678 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2685:36:
 2685 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2675:31:
 2675 |       real*8 aterm,dterm,nbterm
      |                               1
Warning: Unused variable ‘nbterm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2681:35:
 2681 |       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.f90:2681:47:
 2681 |       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.f90:2660:44:
 2660 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2661:32:
 2661 |       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.f90:2661:53:
 2661 |       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.f90:2672:45:
 2672 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2669:24:
 2669 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2658:51:
 2658 |       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.f90:2660:49:
 2660 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2661:73:
 2661 |       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.f90:2661:94:
 2661 |       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.f90:2671:37:
 2671 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2659:15:
 2659 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2659:18:
 2659 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2659:21:
 2659 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2389:23:
 2389 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2408:18:
 2408 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2403:47:
 2403 |       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.f90:2402:35:
 2402 |       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.f90:2402:58:
 2402 |       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.f90:2401:43:
 2401 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2413:17:
 2413 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2412:70:
 2412 |       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.f90:2409:36:
 2409 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2404:51:
 2404 |       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.f90:2417:16:
 2417 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2417:20:
 2417 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2417:24:
 2417 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2423:36:
 2423 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2399:44:
 2399 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2400:32:
 2400 |       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.f90:2400:53:
 2400 |       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.f90:2411:45:
 2411 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2408:24:
 2408 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:51:
 2397 |       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.f90:2399:49:
 2399 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2400:73:
 2400 |       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.f90:2400:94:
 2400 |       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.f90:2410:37:
 2410 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2398:15:
 2398 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2398:18:
 2398 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2398:21:
 2398 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2095:17:
 2095 |       integer C,D
      |                 1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2066:43:
 2066 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2078:17:
 2078 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2082:16:
 2082 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2082:20:
 2082 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2082:24:
 2082 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2064:44:
 2064 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2073:18:
 2073 |       real*8 ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2064:49:
 2064 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2063:15:
 2063 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2063:18:
 2063 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2063:21:
 2063 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1771:18:
 1771 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1767:43:
 1767 |       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.f90:1776:17:
 1776 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1780:16:
 1780 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1780:20:
 1780 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1780:24:
 1780 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1765:44:
 1765 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1771:24:
 1771 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1765:49:
 1765 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1764:15:
 1764 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1764:18:
 1764 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1764:21:
 1764 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1537:18:
 1537 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1533:43:
 1533 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1542:17:
 1542 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1546:16:
 1546 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1546:20:
 1546 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1546:24:
 1546 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1531:44:
 1531 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1537:24:
 1537 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1531:49:
 1531 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1530:15:
 1530 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1530:18:
 1530 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1530:21:
 1530 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1367:43:
 1367 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1373:17:
 1373 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1377:16:
 1377 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1377:20:
 1377 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1377:24:
 1377 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1370:27:
 1370 |       real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh
      |                           1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1365:15:
 1365 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1365:18:
 1365 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1365:21:
 1365 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1250:36:
 1250 |       real(wp) :: gammij,tsqrt2pi,r2,tmp
      |                                    1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1226:49:
 1226 |       subroutine goed_gfnff(env,single,n,at,sqrab,r,chrg,eeqtmp,cn,q,es,gbsa,param,topo)
      |                                                 1
Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:1132:16:
 1132 |       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.f90:1132:44:
 1132 |       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.f90:1140:28:
 1140 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1140:20:
 1140 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1136:27:
 1136 |       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.f90:1133:27:
 1133 |       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.f90:1133:35:
 1133 |       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.f90:1133:53:
 1133 |       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.f90:1133:16:
 1133 |       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.f90:1137:37:
 1137 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1133:19:
 1133 |       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.f90:1132:21:
 1132 |       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.f90:1139:19:
 1139 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1134:36:
 1134 |       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.f90:1135:18:
 1135 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1139:28:
 1139 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1138:45:
 1138 |       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.f90:1133:47:
 1133 |       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.f90:1133:41:
 1133 |       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.f90:1134:53:
 1134 |       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.f90:1136:19:
 1136 |       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.f90:1132:27:
 1132 |       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.f90:1132:33:
 1132 |       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.f90:1132:39:
 1132 |       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.f90:1136:32:
 1136 |       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.f90:1136:38:
 1136 |       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.f90:1077:59:
 1077 |       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.f90:1087:16:
 1087 |       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.f90:1087:47:
 1087 |       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.f90:1090:23:
 1090 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1090:38:
 1090 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1090:53:
 1090 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1095:28:
 1095 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1094:51:
 1094 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                                   1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1090:30:
 1090 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1090:45:
 1090 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1095:20:
 1095 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1094:43:
 1094 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                           1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1091:27:
 1091 |       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.f90:1088:27:
 1088 |       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.f90:1088:35:
 1088 |       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.f90:1088:53:
 1088 |       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.f90:1088:16:
 1088 |       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.f90:1092:37:
 1092 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1088:19:
 1088 |       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.f90:1087:24:
 1087 |       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.f90:1094:19:
 1094 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1089:36:
 1089 |       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.f90:1090:18:
 1090 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1094:28:
 1094 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1093:45:
 1093 |       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.f90:1088:47:
 1088 |       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.f90:1088:41:
 1088 |       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.f90:1089:53:
 1089 |       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.f90:1089:22:
 1089 |       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.f90:1089:31:
 1089 |       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.f90:1092:22:
 1092 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1091:19:
 1091 |       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.f90:1087:30:
 1087 |       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.f90:1087:36:
 1087 |       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.f90:1087:42:
 1087 |       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.f90:1091:32:
 1091 |       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.f90:1091:38:
 1091 |       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.f90:999:16:
  999 |       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.f90:999:44:
  999 |       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.f90:1003:27:
 1003 |       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.f90:1000:27:
 1000 |       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.f90:1000:35:
 1000 |       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.f90:1000:53:
 1000 |       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.f90:1000:16:
 1000 |       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.f90:1004:37:
 1004 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1000:19:
 1000 |       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.f90:999:21:
  999 |       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.f90:1001:36:
 1001 |       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.f90:1002:18:
 1002 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1006:28:
 1006 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1000:47:
 1000 |       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.f90:1000:41:
 1000 |       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.f90:1001:53:
 1001 |       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.f90:1003:19:
 1003 |       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.f90:999:27:
  999 |       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.f90:999:33:
  999 |       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.f90:999:39:
  999 |       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.f90:1003:32:
 1003 |       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.f90:1003:38:
 1003 |       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.f90:940:48:
  940 |       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.f90:944:28:
  944 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:943:56:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:944:20:
  944 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:943:48:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:942:41:
  942 |       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.f90:942:34:
  942 |       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.f90:942:27:
  942 |       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.f90:942:20:
  942 |       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.f90:940:45:
  940 |       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.f90:941:43:
  941 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:37:
  941 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:940:41:
  940 |       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.f90:943:19:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:942:49:
  942 |       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.f90:943:33:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:943:23:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:943:28:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:943:41:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:942:45:
  942 |       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.f90:943:37:
  943 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:944:41:
  944 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:22:
  941 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:944:38:
  944 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:50:
  941 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:34:
  941 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:941:28:
  941 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:868:48:
  868 |       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.f90:881:48:
  881 |       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.f90:880:23:
  880 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:880:38:
  880 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:880:53:
  880 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:885:28:
  885 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:884:56:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:880:30:
  880 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:880:45:
  880 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:885:20:
  885 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:884:48:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:883:41:
  883 |       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.f90:883:34:
  883 |       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.f90:883:27:
  883 |       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.f90:883:20:
  883 |       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.f90:881:45:
  881 |       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.f90:882:43:
  882 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:37:
  882 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:881:41:
  881 |       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.f90:884:19:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:883:49:
  883 |       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.f90:884:33:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:884:23:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:884:28:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:884:41:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:883:45:
  883 |       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.f90:884:37:
  884 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:885:41:
  885 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:879:22:
  879 |       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.f90:879:31:
  879 |       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.f90:882:22:
  882 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:885:38:
  885 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:50:
  882 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:34:
  882 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:882:28:
  882 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:816:48:
  816 |       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.f90:820:28:
  820 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:819:56:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:820:20:
  820 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:819:48:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:818:41:
  818 |       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.f90:818:34:
  818 |       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.f90:818:27:
  818 |       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.f90:818:20:
  818 |       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.f90:816:45:
  816 |       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.f90:817:43:
  817 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:37:
  817 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:816:41:
  816 |       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.f90:819:19:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:818:49:
  818 |       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.f90:819:33:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:819:23:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:819:28:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:819:41:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:818:45:
  818 |       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.f90:819:37:
  819 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:820:41:
  820 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:22:
  817 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:820:38:
  820 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:50:
  817 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:34:
  817 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:817:28:
  817 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:759:24:
  759 |       real(wp) :: cn_thr
      |                        1
Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:764:23:
  764 |       integer  :: iA,jA,jH
      |                       1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:764:26:
  764 |       integer  :: iA,jA,jH
      |                          1
Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:762:21:
  762 |       integer  :: lin,linAH
      |                     1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:762:27:
  762 |       integer  :: lin,linAH
      |                           1
Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:620:51:
  620 |       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.f90:636:15:
  636 |       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.f90:100:25:
  100 |       real*8  omega,rn,dr,g3tmp(3,3),g4tmp(3,4)
      |                         1
Warning: Unused variable ‘dr’ 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.f90:60:50:
   60 |    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.f90:97:28:
   97 |       real*8  dx,dy,dz,yy,t4,t5,t6,alpha,t20
      |                            1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:97:31:
   97 |       real*8  dx,dy,dz,yy,t4,t5,t6,alpha,t20
      |                               1
Warning: Unused variable ‘t5’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:97:34:
   97 |       real*8  dx,dy,dz,yy,t4,t5,t6,alpha,t20
      |                                  1
Warning: Unused variable ‘t6’ 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.f90:97:25:
   97 |       real*8  dx,dy,dz,yy,t4,t5,t6,alpha,t20
      |                         1
Warning: Unused variable ‘yy’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2384:0:
 2384 | 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.f90:2645:0:
 2645 | 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.f90:3180:0:
 3180 | pure elemental function create_erfCN(k,r,r0) result(count)
      | 
Warning: ‘create_erfcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3203:0:
 3203 | pure elemental function create_expCN(k,r,r0) result(count)
      | 
Warning: ‘create_expcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3211:0:
 3211 | pure elemental function create_dexpCN(k,r,r0) result(count)
      | 
Warning: ‘create_dexpcn’ defined but not used [-Wunused-function]
[414/522] true
[415/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[416/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:222:36:
  222 | subroutine writeInfo(self, unit, mol)
      |                                    1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:198:52:
  198 | subroutine print_gfnff_results(iunit,res_gff,verbose,lsolv)
      |                                                    1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:117:19:
  117 |    integer :: i,ich
      |                   1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:120:19:
  120 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:118:25:
  118 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:78:63:
   78 | subroutine singlepoint(self, env, mol, wfn, printlevel, restart, &
      |                                                               1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:78:42:
   78 | subroutine singlepoint(self, env, mol, wfn, printlevel, restart, &
      |                                          1
Warning: Unused dummy argument ‘wfn’ at (1) [-Wunused-dummy-argument]
[417/522] true
[418/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[419/522] true
[420/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:609:62:
  609 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                              1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:54:
  609 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                      1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:608:62:
  608 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                              1
Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:46:
  609 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                              1
Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:49:
  609 |    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.f90:613:61:
  613 |    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.f90:613:35:
  613 |    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.f90:617:35:
  617 |    real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6)
      |                                   1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:617:27:
  617 |    real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6)
      |                           1
Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:66:
  609 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                                  1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:43:
  609 |    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.f90:610:14:
  610 |    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.f90:610:17:
  610 |    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.f90:614:53:
  614 |    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.f90:615:13:
  615 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:616:60:
  616 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:618:25:
  618 |    integer :: il, jl, itr
      |                         1
Warning: Unused variable ‘itr’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:14:
  614 |    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.f90:615:16:
  615 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:616:66:
  616 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:38:
  614 |    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.f90:614:41:
  614 |    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.f90:614:35:
  614 |    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.f90:614:44:
  614 |    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.f90:619:33:
  619 |    real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN
      |                                 1
Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:18:
  614 |    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.f90:614:29:
  614 |    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.f90:614:20:
  614 |    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.f90:614:47:
  614 |    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.f90:614:50:
  614 |    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.f90:616:50:
  616 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:616:54:
  616 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:32:
  614 |    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.f90:563:16:
  563 |       & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, &
      |                1
Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:563:21:
  563 |       & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, &
      |                     1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:611:47:
  611 |    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.f90:612:57:
  612 |    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.f90:613:48:
  613 |    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.f90:609:18:
  609 |    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.f90:609:21:
  609 |    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.f90:612:37:
  612 |    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.f90:612:44:
  612 |    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.f90:611:25:
  611 |    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.f90:611:34:
  611 |    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.f90:611:43:
  611 |    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.f90:612:30:
  612 |    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.f90:608:57:
  608 |    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.f90:608:53:
  608 |    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.f90:608:48:
  608 |    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.f90:609:15:
  609 |    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.f90:613:22:
  613 |    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.f90:608:31:
  608 |    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.f90:608:37:
  608 |    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.f90:608:43:
  608 |    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.f90:609:27:
  609 |    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.f90:609:30:
  609 |    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.f90:609:33:
  609 |    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.f90:609:36:
  609 |    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.f90:608:16:
  608 |    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.f90:608:21:
  608 |    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.f90:608:26:
  608 |    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.f90:609:24:
  609 |    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.f90:619:29:
  619 |    real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN
      |                             1
Warning: Unused variable ‘zetaij’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:619:17:
  619 |    real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN
      |                 1
Warning: Unused variable ‘zi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:619:21:
  619 |    real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN
      |                     1
Warning: Unused variable ‘zj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:62:
  404 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                              1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:54:
  404 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                      1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:403:62:
  403 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                              1
Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:46:
  404 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                              1
Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:49:
  404 |    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.f90:408:61:
  408 |    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.f90:408:35:
  408 |    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.f90:412:35:
  412 |    real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6)
      |                                   1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:412:27:
  412 |    real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6)
      |                           1
Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:66:
  404 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                                  1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:43:
  404 |    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.f90:405:14:
  405 |    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.f90:405:17:
  405 |    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.f90:409:53:
  409 |    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.f90:410:13:
  410 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:411:60:
  411 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:14:
  409 |    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.f90:410:16:
  410 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:411:66:
  411 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:38:
  409 |    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.f90:409:41:
  409 |    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.f90:409:35:
  409 |    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.f90:409:44:
  409 |    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.f90:409:18:
  409 |    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.f90:409:29:
  409 |    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.f90:409:20:
  409 |    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.f90:409:47:
  409 |    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.f90:409:50:
  409 |    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.f90:411:50:
  411 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:411:54:
  411 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:32:
  409 |    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.f90:360:75:
  360 | 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.f90:360:80:
  360 | 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.f90:406:47:
  406 |    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.f90:407:57:
  407 |    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.f90:408:48:
  408 |    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.f90:404:18:
  404 |    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.f90:404:21:
  404 |    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.f90:407:37:
  407 |    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.f90:407:44:
  407 |    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.f90:406:25:
  406 |    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.f90:406:34:
  406 |    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.f90:406:43:
  406 |    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.f90:407:30:
  407 |    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.f90:403:57:
  403 |    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.f90:403:53:
  403 |    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.f90:403:48:
  403 |    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.f90:404:15:
  404 |    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.f90:408:22:
  408 |    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.f90:403:31:
  403 |    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.f90:403:37:
  403 |    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.f90:403:43:
  403 |    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.f90:404:27:
  404 |    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.f90:404:30:
  404 |    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.f90:404:33:
  404 |    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.f90:404:36:
  404 |    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.f90:403:16:
  403 |    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.f90:403:21:
  403 |    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.f90:403:26:
  403 |    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.f90:404:24:
  404 |    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.f90:187:65:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                                 1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:57:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                         1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:39:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                       1
Warning: Unused variable ‘alpj’ 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.f90:187:46:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                              1
Warning: Unused variable ‘ci’ 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.f90:187:69:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                                     1
Warning: Unused variable ‘est’ 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.f90:191:13:
  191 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:192:60:
  192 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ 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.f90:191:16:
  191 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:192:66:
  192 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:191:65:
  191 |    integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax
      |                                                                 1
Warning: Unused variable ‘jshmax’ 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.f90:192:50:
  192 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:192:54:
  192 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ 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.f90:197:22:
  197 |    real(wp) :: saw(10)
      |                      1
Warning: Unused variable ‘saw’ 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.f90:185:16:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:21:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ 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’:
../src/xtb/hamiltonian.f90:709: warning: ‘stmp’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  709 |                         g_xyz(ixyz) = g_xyz(ixyz)+stmp+dtmp+qtmp
      | 
[421/522] true
[422/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:2314:19:
 2314 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2312:18:
 2312 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2313:19:
 2313 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2315:19:
 2315 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2295:24:
 2295 | subroutine set_split(env,key,val)
      |                        1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2295:28:
 2295 | subroutine set_split(env,key,val)
      |                            1
Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2295:32:
 2295 | subroutine set_split(env,key,val)
      |                                1
Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2230:18:
 2230 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2233:19:
 2233 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2206:19:
 2206 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2204:18:
 2204 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2205:19:
 2205 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2207:19:
 2207 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2148:18:
 2148 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2116:62:
 2116 |    character(len=p_str_length),dimension(p_arg_length) :: argv
      |                                                              1
Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2109:18:
 2109 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2114:16:
 2114 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2112:19:
 2112 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2115:19:
 2115 |    integer  :: narg
      |                   1
Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2068:18:
 2068 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2069:19:
 2069 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2046:18:
 2046 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2047:19:
 2047 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2049:19:
 2049 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2002:19:
 2002 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2000:18:
 2000 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2001:19:
 2001 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2003:19:
 2003 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2011:23:
 2011 |    logical,save :: set8 = .true.
      |                       1
Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1976:18:
 1976 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1979:19:
 1979 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1940:18:
 1940 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1941:19:
 1941 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1943:19:
 1943 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1911:18:
 1911 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1912:19:
 1912 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1914:19:
 1914 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1917:23:
 1917 |    logical,save :: set3 = .true.
      |                       1
Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1867:18:
 1867 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1870:19:
 1870 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1813:18:
 1813 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1816:19:
 1816 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1779:18:
 1779 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1782:19:
 1782 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1755:18:
 1755 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1756:19:
 1756 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1758:19:
 1758 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1702:18:
 1702 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1611:18:
 1611 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1564:18:
 1564 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1567:19:
 1567 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1397:18:
 1397 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1418:24:
 1418 |    logical,save :: set18 = .true.
      |                        1
Warning: Unused variable ‘set18’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1349:18:
 1349 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1352:19:
 1352 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1304:19:
 1304 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1302:18:
 1302 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1233:19:
 1233 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1231:18:
 1231 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1090:19:
 1090 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1088:18:
 1088 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1089:19:
 1089 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1067:18:
 1067 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1047:18:
 1047 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1029:18:
 1029 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:717:19:
  717 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:710:15:
  710 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:712:16:
  712 |    integer :: ic
      |                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/set_module.f90:713:16:
  713 |    integer :: ie
      |                1
Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable]
../src/set_module.f90:706:38:
  706 |    character(len=:),allocatable :: key
      |                                      1
Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable]
../src/set_module.f90:707:38:
  707 |    character(len=:),allocatable :: val
      |                                      1
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
../src/set_module.f90:674:19:
  674 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:556:15:
  556 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:446:15:
  446 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:422:15:
  422 |    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)
      | 
[423/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:60:36:
   60 |    integer, parameter :: metal(1:86) = [&
      |                                    1
Warning: Unused PRIVATE module variable ‘metal’ declared at (1) [-Wunused-value]
../src/scf_module.f90:180:37:
  180 |    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.f90:200:29:
  200 |    character(len=128) :: atmp,ftmp
      |                             1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:162:34:
  162 |    real(wp),allocatable :: aw(:,:)
      |                                  1
Warning: Unused variable ‘aw’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:163:36:
  163 |    real(wp),allocatable :: c6ab(:,:)
      |                                    1
Warning: Unused variable ‘c6ab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:210:44:
  210 |    real(wp),allocatable :: fgba(:),dcm5(:,:)
      |                                            1
Warning: Unused variable ‘dcm5’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:48:
  183 |    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.f90:183:37:
  183 |    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.f90:180:43:
  180 |    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.f90:180:46:
  180 |    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.f90:180:49:
  180 |    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.f90:181:18:
  181 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                  1
Warning: Unused variable ‘efa’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:22:
  181 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                      1
Warning: Unused variable ‘efb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:48:
  178 |    real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix
      |                                                1
Warning: Unused variable ‘efix’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:23:
  179 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                       1
Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:48:
  182 |    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.f90:179:32:
  179 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                1
Warning: Unused variable ‘eold’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:187:20:
  187 |    real(wp) :: esave,eel
      |                    1
Warning: Unused variable ‘esave’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:201:16:
  201 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:186:43:
  186 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                                           1
Warning: Unused variable ‘exc’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:53:
  181 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                                     1
Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:210:34:
  210 |    real(wp),allocatable :: fgba(:),dcm5(:,:)
      |                                  1
Warning: Unused variable ‘fgba’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:200:34:
  200 |    character(len=128) :: atmp,ftmp
      |                                  1
Warning: Unused variable ‘ftmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:201:34:
  201 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                                  1
Warning: Unused variable ‘fulldiag’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:23:
  185 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                       1
Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:26:
  185 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                          1
Warning: Unused variable ‘gj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:70:48:
   70 |       & egap, et, maxiter, prlevel, restart, grd, acc, energy, gradient, res)
      |                                                1
Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument]
../src/scf_module.f90:186:39:
  186 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                                       1
Warning: Unused variable ‘gtmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:52:
  182 |    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.f90:183:19:
  183 |    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.f90:180:31:
  180 |    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.f90:211:20:
  211 |    real(wp) :: hbpow
      |                    1
Warning: Unused variable ‘hbpow’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:39:
  181 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                       1
Warning: Unused variable ‘hdii’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:44:
  181 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                            1
Warning: Unused variable ‘hdjj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:43:
  178 |    real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix
      |                                           1
Warning: Unused variable ‘hlgap’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:57:
  182 |    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.f90:197:19:
  197 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                   1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:197:22:
  197 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                      1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:33:
  196 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                 1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:17:
  194 |    integer :: ich ! file handle
      |                 1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:201:50:
  201 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                                                  1
Warning: Unused variable ‘iniqsh’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:48:
  184 |    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.f90:198:19:
  198 |    integer :: is,js,gav
      |                   1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:27:
  196 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                           1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:56:
  184 |    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.f90:188:39:
  188 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                                       1
Warning: Unused variable ‘kexpe’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:26:
  195 |    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.f90:195:58:
  195 |    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.f90:196:41:
  196 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:197:16:
  197 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:45:
  195 |    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.f90:195:61:
  195 |    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.f90:195:64:
  195 |    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.f90:161:20:
  161 |    real(wp) :: molc6,molc8,molpol
      |                    1
Warning: Unused variable ‘molc6’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:161:26:
  161 |    real(wp) :: molc6,molc8,molpol
      |                          1
Warning: Unused variable ‘molc8’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:39:
  196 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                       1
Warning: Unused variable ‘ndimv’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:28:
  181 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                            1
Warning: Unused variable ‘nfoda’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:34:
  181 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                  1
Warning: Unused variable ‘nfodb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:197:25:
  197 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                         1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:30:
  196 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                              1
Warning: Unused variable ‘np’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:17:
  195 |    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.f90:180:58:
  180 |    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.f90:180:62:
  180 |    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.f90:179:42:
  179 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:27:
  179 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                           1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:62:
  182 |    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.f90:183:59:
  183 |    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.f90:184:42:
  184 |    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.f90:180:27:
  180 |    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.f90:164:34:
  164 |    real(wp),allocatable :: rvol(:)
      |                                  1
Warning: Unused variable ‘rvol’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:125:35:
  125 |    real(wp),allocatable :: S12(:,:)
      |                                   1
Warning: Unused variable ‘s12’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:17:
  180 |    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.f90:180:20:
  180 |    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.f90:188:22:
  188 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                      1
Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:188:25:
  188 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                         1
Warning: Unused variable ‘t7’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:63:
  183 |    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.f90:183:55:
  183 |    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.f90:184:61:
  184 |    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.f90:186:17:
  186 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                 1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:186:20:
  186 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                    1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:17:
  185 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                 1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:17:
  182 |    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.f90:182:20:
  182 |    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.f90:184:21:
  184 |    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.f90:184:24:
  184 |    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.f90:137:36:
  137 |    real(wp),allocatable :: Xcao(:,:)
      |                                    1
Warning: Unused variable ‘xcao’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:20:
  185 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                    1
Warning: Unused variable ‘xj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:19:
  179 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                   1
Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:39:
  179 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                       1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:27:
  184 |    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.f90:184:30:
  184 |    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.f90:183:51:
  183 |    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.f90:184:33:
  184 |    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.f90:184:36:
  184 |    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.f90:874:0:
  874 | pure elemental function early3d(i) result(bool)
      | 
Warning: ‘early3d’ defined but not used [-Wunused-function]
[424/522] true
[425/522] true
[426/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      | 
[427/522] true
[428/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[429/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
      | 
[430/522] true
[431/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[432/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[433/522] true
[434/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[435/522] true
[436/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:1602:40:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                        1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:32:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1600:62:
 1600 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                              1
Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:24:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:21:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:27:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1606:61:
 1606 |    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.f90:1606:35:
 1606 |    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.f90:1605:16:
 1605 |    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.f90:1610:28:
 1610 |    real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6)
      |                            1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1610:24:
 1610 |    real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6)
      |                        1
Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:44:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                            1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:18:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:14:
 1603 |    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.f90:1603:17:
 1603 |    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.f90:1607:53:
 1607 |    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.f90:1608:13:
 1608 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1609:60:
 1609 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1607:14:
 1607 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1608:16:
 1608 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1609:66:
 1609 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1608:72:
 1608 |    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.f90:1607:16:
 1607 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1608:28:
 1608 |    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.f90:1607:38:
 1607 |    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.f90:1607:41:
 1607 |    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.f90:1607:35:
 1607 |    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.f90:1607:44:
 1607 |    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.f90:1607:18:
 1607 |    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.f90:1607:57:
 1607 |    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.f90:1607:29:
 1607 |    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.f90:1607:20:
 1607 |    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.f90:1607:47:
 1607 |    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.f90:1607:50:
 1607 |    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.f90:1609:50:
 1609 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1609:54:
 1609 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1607:32:
 1607 |    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.f90:1561:21:
 1561 |       & 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.f90:1604:47:
 1604 |    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.f90:1605:57:
 1605 |    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.f90:1606:48:
 1606 |    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.f90:1605:21:
 1605 |    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.f90:1601:18:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:21:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:37:
 1605 |    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.f90:1605:44:
 1605 |    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.f90:1602:37:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                     1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:25:
 1604 |    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.f90:1604:34:
 1604 |    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.f90:1604:43:
 1604 |    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.f90:1605:30:
 1605 |    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.f90:1600:57:
 1600 |    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.f90:1600:53:
 1600 |    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.f90:1600:48:
 1600 |    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.f90:1601:15:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1606:22:
 1606 |    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.f90:1600:31:
 1600 |    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.f90:1600:37:
 1600 |    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.f90:1600:43:
 1600 |    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.f90:1601:27:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:30:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:33:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:36:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:16:
 1602 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1600:16:
 1600 |    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.f90:1600:21:
 1600 |    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.f90:1600:26:
 1600 |    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.f90:1601:24:
 1601 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1621:17:
 1621 |    integer  :: tx,ty,tz
      |                 1
Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1621:20:
 1621 |    integer  :: tx,ty,tz
      |                    1
Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1621:23:
 1621 |    integer  :: tx,ty,tz
      |                       1
Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:40:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                        1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:32:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:62:
 1366 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                              1
Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:24:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:21:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:27:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1372:61:
 1372 |    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.f90:1372:35:
 1372 |    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.f90:1371:16:
 1371 |    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.f90:1376:28:
 1376 |    real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6)
      |                            1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1376:24:
 1376 |    real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6)
      |                        1
Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:44:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                            1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:18:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:14:
 1369 |    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.f90:1369:17:
 1369 |    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.f90:1373:53:
 1373 |    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.f90:1374:13:
 1374 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1375:60:
 1375 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1373:14:
 1373 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1374:16:
 1374 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1375:66:
 1375 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1374:72:
 1374 |    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.f90:1373:16:
 1373 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1373:38:
 1373 |    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.f90:1373:41:
 1373 |    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.f90:1373:35:
 1373 |    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.f90:1373:44:
 1373 |    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.f90:1373:18:
 1373 |    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.f90:1373:57:
 1373 |    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.f90:1373:29:
 1373 |    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.f90:1373:20:
 1373 |    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.f90:1373:47:
 1373 |    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.f90:1373:50:
 1373 |    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.f90:1375:50:
 1375 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1375:54:
 1375 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1373:32:
 1373 |    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.f90:1326:21:
 1326 |       & 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.f90:1370:47:
 1370 |    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.f90:1371:57:
 1371 |    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.f90:1372:48:
 1372 |    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.f90:1371:21:
 1371 |    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.f90:1367:18:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:21:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:37:
 1371 |    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.f90:1371:44:
 1371 |    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.f90:1368:37:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                     1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:25:
 1370 |    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.f90:1370:34:
 1370 |    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.f90:1370:43:
 1370 |    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.f90:1371:30:
 1371 |    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.f90:1366:57:
 1366 |    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.f90:1366:53:
 1366 |    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.f90:1366:48:
 1366 |    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.f90:1367:15:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1372:22:
 1372 |    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.f90:1366:31:
 1366 |    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.f90:1366:37:
 1366 |    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.f90:1366:43:
 1366 |    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.f90:1367:27:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:30:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:33:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:36:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:16:
 1368 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:16:
 1366 |    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.f90:1366:21:
 1366 |    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.f90:1366:26:
 1366 |    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.f90:1367:24:
 1367 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1280:17:
 1280 |    real(wp) :: ab,est,saw,sawg(3)
      |                 1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1279:42:
 1279 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1256:76:
 1256 | 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.f90:1214:42:
 1214 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:60:
 1035 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                            1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:52:
 1035 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                    1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1034:39:
 1034 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                       1
Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:44:
 1035 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                            1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:41:
 1035 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                         1
Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:47:
 1035 |    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.f90:1045:45:
 1045 |    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.f90:1045:19:
 1045 |    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.f90:1034:14:
 1034 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1034:17:
 1034 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1034:20:
 1034 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:64:
 1035 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                                1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:38:
 1035 |    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.f90:1043:27:
 1043 |    real(wp)  ri(3),rj(3),f1,f2
      |                           1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1043:30:
 1043 |    real(wp)  ri(3),rj(3),f1,f2
      |                              1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1047:13:
 1047 |    integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1048:60:
 1048 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:14:
 1032 |    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/peeq_module.f90:1047:16:
 1047 |    integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1048:66:
 1048 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:16:
 1032 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1051:14:
 1051 |    integer kat
      |              1
Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:38:
 1032 |    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.f90:1032:41:
 1032 |    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.f90:1032:35:
 1032 |    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.f90:1032:44:
 1032 |    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.f90:1032:18:
 1032 |    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.f90:1032:29:
 1032 |    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.f90:1032:20:
 1032 |    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.f90:1032:47:
 1032 |    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.f90:1032:50:
 1032 |    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.f90:1048:50:
 1048 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1048:54:
 1048 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:32:
 1032 |    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.f90:1002:71:
 1002 | 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.f90:1045:55:
 1045 |    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.f90:1045:27:
 1045 |    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.f90:1035:18:
 1035 |    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.f90:1035:21:
 1035 |    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.f90:1035:57:
 1035 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                         1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1034:34:
 1034 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1034:30:
 1034 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1034:25:
 1034 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1054:22:
 1054 |    real(wp) :: saw(10)
      |                      1
Warning: Unused variable ‘saw’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:15:
 1035 |    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.f90:1046:22:
 1046 |    real(wp) sstmp(6,6) !TESTST
      |                      1
Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:36:
 1033 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:42:
 1033 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:27:
 1035 |    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.f90:1035:30:
 1035 |    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.f90:1035:33:
 1035 |    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.f90:1035:36:
 1035 |    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.f90:1045:64:
 1045 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                                                1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:16:
 1033 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:21:
 1033 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:26:
 1033 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:31:
 1033 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1035:24:
 1035 |    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.f90:846:60:
  846 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                            1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:52:
  846 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                    1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:845:39:
  845 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                       1
Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:44:
  846 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                            1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:41:
  846 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                         1
Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:47:
  846 |    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.f90:856:45:
  856 |    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.f90:856:19:
  856 |    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.f90:845:14:
  845 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:845:17:
  845 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:845:20:
  845 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:64:
  846 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                                1
Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:38:
  846 |    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.f90:854:32:
  854 |    real(wp)  ri(3),rj(3),t(3),f1,f2
      |                                1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:854:35:
  854 |    real(wp)  ri(3),rj(3),t(3),f1,f2
      |                                   1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:858:13:
  858 |    integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl
      |             1
Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:859:60:
  859 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                            1
Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:14:
  843 |    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/peeq_module.f90:858:16:
  858 |    integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl
      |                1
Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:859:66:
  859 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                                  1
Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:16:
  843 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:38:
  843 |    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.f90:843:41:
  843 |    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.f90:843:35:
  843 |    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.f90:843:44:
  843 |    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.f90:843:18:
  843 |    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.f90:843:29:
  843 |    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.f90:843:20:
  843 |    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.f90:843:47:
  843 |    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.f90:843:50:
  843 |    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.f90:859:50:
  859 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                  1
Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:859:54:
  859 |    integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim
      |                                                      1
Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:32:
  843 |    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.f90:811:71:
  811 | 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.f90:856:55:
  856 |    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.f90:856:27:
  856 |    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.f90:846:18:
  846 |    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.f90:846:21:
  846 |    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.f90:846:57:
  846 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                         1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:845:34:
  845 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:845:30:
  845 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:845:25:
  845 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:865:22:
  865 |    real(wp) :: saw(10)
      |                      1
Warning: Unused variable ‘saw’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:15:
  846 |    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.f90:857:22:
  857 |    real(wp) sstmp(6,6) !TESTST
      |                      1
Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:36:
  844 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:42:
  844 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:27:
  846 |    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.f90:846:30:
  846 |    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.f90:846:33:
  846 |    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.f90:846:36:
  846 |    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.f90:856:64:
  856 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                                                1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:16:
  844 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:21:
  844 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:26:
  844 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:31:
  844 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:846:24:
  846 |    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.f90:695:17:
  695 |    integer :: i,j,k,wsAt
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:695:19:
  695 |    integer :: i,j,k,wsAt
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:702:19:
  702 |    real(wp) :: r2,r,dr,rab
      |                   1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:702:17:
  702 |    real(wp) :: r2,r,dr,rab
      |                 1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:695:24:
  695 |    integer :: i,j,k,wsAt
      |                        1
Warning: Unused variable ‘wsat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:626:26:
  626 |    real(wp) :: ri(3),dr(3)
      |                          1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:625:17:
  625 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:625:21:
  625 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:624:19:
  624 |    integer :: i,j,k,lin
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:624:23:
  624 |    integer :: i,j,k,lin
      |                       1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:626:20:
  626 |    real(wp) :: ri(3),dr(3)
      |                    1
Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:636:27:
  636 |    integer  :: latrep(3),tx,ty,tz,itr
      |                           1
Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:636:30:
  636 |    integer  :: latrep(3),tx,ty,tz,itr
      |                              1
Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:636:33:
  636 |    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]
[437/522] true
[438/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.F90:1148:28:
 1148 |    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.F90:653: warning: ‘xyz2.offset’ is used uninitialized in this function [-Wuninitialized]
  653 |    xyz2 = mol%xyz
      | 
../src/hessian.F90:653: warning: ‘xyz2.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:653: warning: ‘xyz2.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:653: warning: ‘xyz2.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:653: warning: ‘xyz2.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[439/522] true
[440/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[441/522] true
[442/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[443/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[444/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[445/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[446/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[447/522] true
[448/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[449/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:271:47:
  271 | subroutine print_gfn2_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:252:47:
  252 | subroutine print_gfn1_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:235:53:
  235 | subroutine print_gfn0_results(iunit,res,verbose,lsolv)
      |                                                     1
Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:235:47:
  235 | subroutine print_gfn0_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:133:19:
  133 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/xtb/calculator.f90:131:25:
  131 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
[450/522] true
[451/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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) &
      |                                                  ^
[452/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[453/522] true
[454/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[455/522] true
[456/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:482:20:
  482 |    parameter (r4dum=1.e-8)
      |                    1
Warning: Change of value in conversion from ‘REAL(8)’ to ‘REAL(4)’ at (1) [-Wconversion]
../src/optimizer.f90:626:28:
  626 |    Aaug(1:npvar)          = anc%hess
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:627:28:
  627 |    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.f90:637:17:
  637 |          Uaug  = Uaug/dsnrm
      |                 1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:974:16:
  974 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:742:19:
  742 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:714:19:
  714 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:33:
  474 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                                 1
Warning: Unused variable ‘dnorm’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:475:33:
  475 |    real(wp) :: depred,echng,dummy,maxd,alp,gchng,smallreal,gnold
      |                                 1
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:472:16:
  472 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:472:52:
  472 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                                    1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:472:43:
  472 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                           1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:472:27:
  472 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:472:30:
  472 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                              1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:21:
  474 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                     1
Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:472:37:
  472 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                     1
Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:472:46:
  472 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:49:
  473 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                 1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:55:
  473 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:52:
  473 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                    1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:58:
  473 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                          1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:48:
  474 |    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]
[457/522] true
[458/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[459/522] true
[460/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[461/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:226:33:
  226 |    type(TxTBParameter) :: globpar
      |                                 1
Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable]
../src/main/setup.f90:228:26:
  228 |    logical :: exist, okbas
      |                          1
Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable]
[462/522] true
[463/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[464/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[465/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:1156:27:
 1156 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                           1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/main/property.f90:1156:25:
 1156 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                         1
Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable]
../src/main/property.f90:964:25:
  964 |    logical linear,atom,da
      |                         1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/main/property.f90:950:36:
  950 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                    1
Warning: Unused variable ‘fswitch’ declared at (1) [-Wunused-variable]
../src/main/property.f90:950:42:
  950 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                          1
Warning: Unused variable ‘lnq_r’ declared at (1) [-Wunused-variable]
../src/main/property.f90:950:48:
  950 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                                1
Warning: Unused variable ‘lnq_v’ declared at (1) [-Wunused-variable]
../src/main/property.f90:950:28:
  950 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                            1
Warning: Unused variable ‘maxfreq’ declared at (1) [-Wunused-variable]
../src/main/property.f90:952:26:
  952 |    integer nn,nvib,i,j,k,n,nvib_theo,isthr
      |                          1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/main/property.f90:952:13:
  952 |    integer nn,nvib,i,j,k,n,nvib_theo,isthr
      |             1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/main/property.f90:950:20:
  950 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                    1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/main/property.f90:947:18:
  947 |    real(wp) xx(10),sthr,temp,scale_factor
      |                  1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/main/property.f90:792:34:
  792 | 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.f90:650:18:
  650 |    integer  :: i,j,k,nfrag
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/property.f90:650:20:
  650 |    integer  :: i,j,k,nfrag
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/property.f90:651:19:
  651 |    real(wp) :: xsum
      |                   1
Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable]
../src/main/property.f90:411:28:
  411 |    real(wp) :: etot,h298,dum
      |                            1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/main/property.f90:411:19:
  411 |    real(wp) :: etot,h298,dum
      |                   1
Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable]
../src/main/property.f90:411:24:
  411 |    real(wp) :: etot,h298,dum
      |                        1
Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable]
../src/main/property.f90:405:41:
  405 |    character(len=:),allocatable  :: hname
      |                                         1
Warning: Unused variable ‘hname’ declared at (1) [-Wunused-variable]
../src/main/property.f90:404:19:
  404 |    integer  :: i,ii,j,jj,k,l
      |                   1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/main/property.f90:404:21:
  404 |    integer  :: i,ii,j,jj,k,l
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/property.f90:404:24:
  404 |    integer  :: i,ii,j,jj,k,l
      |                        1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/main/property.f90:404:26:
  404 |    integer  :: i,ii,j,jj,k,l
      |                          1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/property.f90:404:28:
  404 |    integer  :: i,ii,j,jj,k,l
      |                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:22:
  412 |    integer  :: lowmode
      |                      1
Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable]
../src/main/property.f90:278:18:
  278 |    real(wp) :: acc,intcut,neglect
      |                  1
Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable]
../src/main/property.f90:277:18:
  277 |    real(wp) :: dip,dipol(3)
      |                  1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/main/property.f90:277:27:
  277 |    real(wp) :: dip,dipol(3)
      |                           1
Warning: Unused variable ‘dipol’ declared at (1) [-Wunused-variable]
../src/main/property.f90:278:25:
  278 |    real(wp) :: acc,intcut,neglect
      |                         1
Warning: Unused variable ‘intcut’ declared at (1) [-Wunused-variable]
../src/main/property.f90:276:19:
  276 |    integer  :: ndim,ndp,nqp
      |                   1
Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable]
../src/main/property.f90:276:23:
  276 |    integer  :: ndim,ndp,nqp
      |                       1
Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:278:33:
  278 |    real(wp) :: acc,intcut,neglect
      |                                 1
Warning: Unused variable ‘neglect’ declared at (1) [-Wunused-variable]
../src/main/property.f90:276:27:
  276 |    integer  :: ndim,ndp,nqp
      |                           1
Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:238:33:
  238 |       (lverbose,mol,wfx,basis,res)
      |                                 1
Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:121:25:
  121 |    type(TSolvent) :: gbsa
      |                         1
Warning: Unused variable ‘gbsa’ declared at (1) [-Wunused-variable]
../src/main/property.f90:117:23:
  117 |    integer  :: ndim,ndp,nqp
      |                       1
Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:117:27:
  117 |    integer  :: ndim,ndp,nqp
      |                           1
Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:73:38:
   73 |       (iunit,mol,wfx,basis,xtbData,res,solv,acc)
      |                                      1
Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument]
[466/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[467/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[468/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[469/522] true
[470/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[471/522] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -std=c11 -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 -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 ;
      |              ^
[472/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:958:24:
  958 |       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.f90:960:28:
  960 |    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.f90:590:21:
  590 |          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.f90:591:21:
  591 |          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.f90:631:35:
  631 |       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.f90:895:21:
  895 |    real(wp) :: depred
      |                     1
Warning: Unused variable ‘depred’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:889:20:
  889 |    integer :: i,j,ij
      |                    1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:889:17:
  889 |    integer :: i,j,ij
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:896:31:
  896 |    real(wp) :: max_displacement
      |                               1
Warning: Unused variable ‘max_displacement’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:782:22:
  782 |    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.f90:1267: warning: ‘lat_gnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1267 |                &       - lat_apar * lat_gradient/lat_gnorm * lat_speed
      | 
../src/relaxation_engine.f90:1269: warning: ‘lat_time_step’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1269 |                lat_time_step = min(lat_time_step * opt%finc, max_tstep)
      | 
../src/relaxation_engine.f90:1267: warning: ‘lat_apar’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1267 |                &       - lat_apar * lat_gradient/lat_gnorm * lat_speed
      | 
../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_l_ancopt’:
../src/relaxation_engine.f90:663: warning: ‘thr’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  663 |       if (k.ne.nvar) thr=thr*0.1_wp
      | 
[473/522] true
[474/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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
[475/522] true
[476/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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, wfx, 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, wfx, 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]
[477/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[478/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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,wfn,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]
[479/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[480/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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.f90:24:65:
   24 | subroutine bias_path(env, mol, wfx, calc, egap, et, maxiter, epot, grd, sigma)
      |                                                                 1
Warning: Unused dummy argument ‘epot’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:75:18:
   75 |    logical fail,ex
      |                  1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:71:54:
   71 |    real(wp) xx(10),dum,factor,mem(5,100),distort,gnorm,dum1,ang
      |                                                      1
Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:72:24:
   72 |    real(wp) ma,mfac,gthr,fnat
      |                        1
Warning: Unused variable ‘gthr’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:72:14:
   72 |    real(wp) ma,mfac,gthr,fnat
      |              1
Warning: Unused variable ‘ma’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:72:19:
   72 |    real(wp) ma,mfac,gthr,fnat
      |                   1
Warning: Unused variable ‘mfac’ declared at (1) [-Wunused-variable]
../src/bias_path.f90: In function ‘__xtb_biaspath_MOD_bias_path’:
../src/bias_path.f90:299: warning: ‘idat’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  299 |    open(unit=idat,file='xtbpath.dat') ! for comparison all pot curves
      | 
[481/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -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]
[482/522] 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_setvar.f90.o lib_xtb.a.p/src_type_solvent.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_cm5.f90.o lib_xtb.a.p/src_solv_gbobc.f90.o lib_xtb.a.p/src_solv_lebedev.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
[483/522] 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_setvar.f90.o lib_xtb.a.p/src_type_solvent.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_cm5.f90.o lib_xtb.a.p/src_solv_gbobc.f90.o lib_xtb.a.p/src_solv_lebedev.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
[484/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[485/522] true
[486/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[487/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[488/522] true
[489/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[490/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[491/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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.f90:171:35:
  171 |    real(wp),allocatable :: fgb(:,:),fhb(:)
      |                                   1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../TESTSUITE/eeq_model.f90:171:42:
  171 |    real(wp),allocatable :: fgb(:,:),fhb(:)
      |                                          1
Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable]
[492/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[493/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[494/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[495/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[496/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[497/522] true
[498/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[499/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[500/522] true
[501/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[502/522] true
[503/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[504/522] true
[505/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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.f90:55:31:
   55 |    logical  :: okpar,okbas,diff,exitRun
      |                               1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfn1.f90:511:29:
  511 |    type(tb_pcem)      :: pcem
      |                             1
Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfn1.f90:519:26:
  519 |    real(wp) :: stress(3,3)
      |                          1
Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable]
[506/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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.F90:114:33:
  114 |    type(chrg_parameter) :: chrgeq
      |                                 1
Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:182:22:
  182 |    logical :: epr,diff,murks
      |                      1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:171:19:
  171 |    real(wp) :: dum5,egap,etot,ipeashift
      |                   1
Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:145:45:
  145 |    real(wp),allocatable :: dumdumdum  (:,:,:)
      |                                             1
Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:182:17:
  182 |    logical :: epr,diff,murks
      |                 1
Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:181:16:
  181 |    logical :: ex,okbas
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:188:21:
  188 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:172:46:
  172 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                                              1
Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:142:33:
  142 |    type(TxTBParameter) :: globpar
      |                                 1
Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:186:23:
  186 |    logical :: newreader
      |                       1
Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:193:19:
  193 |    integer :: nproc
      |                   1
Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:181:22:
  181 |    logical :: ex,okbas
      |                      1
Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:192:38:
  192 |    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.F90:192:58:
  192 |    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.F90:146:33:
  146 |    real(wp),allocatable :: q  (:)
      |                                 1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:147:34:
  147 |    real(wp),allocatable :: ql  (:)
      |                                  1
Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:148:34:
  148 |    real(wp),allocatable :: qr  (:)
      |                                  1
Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:172:22:
  172 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                      1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:172:25:
  172 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                         1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:192:17:
  192 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                 1
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:175:28:
  175 |    real(wp) :: vomega,vfukui
      |                            1
Warning: Unused variable ‘vfukui’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:172:28:
  172 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                            1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:172:31:
  172 |    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.F90:687: warning: ‘ip’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  687 |       vomega=(ip+ea)**2/(8*(ip-ea))
      | 
[507/522] true
[508/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[509/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[510/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[511/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[512/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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.f90:45:20:
   45 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:42:38:
   42 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:43:19:
   43 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:128:20:
  128 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:125:38:
  125 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:126:19:
  126 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:214:20:
  214 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:211:38:
  211 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:212:19:
  212 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
[513/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[514/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[515/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[516/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[517/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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]
[518/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[519/522] 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 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/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
[520/522] gcc  -o libxtb.so.6.3.1  -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 -lopenblaso -fopenmp -pthread -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.f90:474: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  474 |          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.f90:475: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  475 |          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
[521/522] 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 -lopenblaso -fopenmp -pthread '-Wl,-rpath,$ORIGIN/' -Wl,-rpath-link,/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/ -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.f90:474: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  474 |          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.f90:475: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  475 |          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.F90:1105: warning: type of ‘help’ does not match original declaration [-Wlto-type-mismatch]
 1105 |          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
[522/522] gfortran  -o TESTSUITE/xtb_test TESTSUITE/xtb_test.p/assertion.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 -lopenblaso -fopenmp -pthread '-Wl,-rpath,$ORIGIN/..' -Wl,-rpath-link,/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/ -lgfortran -lm -Wl,--end-group
../src/main/property.f90:474: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  474 |          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.f90:475: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  475 |          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.DpY28i
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64 '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64
++ dirname /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64
+ cd xtb-6.3.1
+ DESTDIR=/builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64
+ /usr/bin/meson install -C riscv64-redhat-linux-gnu --no-rebuild
Installing libxtb.so.6.3.1 to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64
Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64
Installing xtb to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/bin
Installing /builddir/build/BUILD/xtb-6.3.1/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/include/
Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb.1 to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/man/man1
Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xcontrol.7 to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/man/man7
Installing /builddir/build/BUILD/xtb-6.3.1/param_gfn0-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.1/param_gfn2-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.1/param_gfn1-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.1/param_ipea-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.1/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/assets/config_env.bash to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/assets/config_env.csh to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/assets/xtb.pc to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/pkgconfig
+ rm /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/libxtb.a
+ mkdir -p /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/etc/profile.d
+ cat
+ cat
+ /usr/lib/rpm/find-debuginfo.sh -j4 --strict-build-id -m -i --build-id-seed 6.3.1-5.fc33 --unique-debug-suffix -6.3.1-5.fc33.riscv64 --unique-debug-src-base xtb-6.3.1-5.fc33.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.3.1
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/bin/xtb
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/libxtb.so.6.3.1
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/libxtb.so.6.3.1
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/bin/xtb
original debug info size: 31920kB, size after compression: 30044kB
/usr/lib/rpm/sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match.
cpio: riscv64-redhat-linux-gnu/param_gbsa_acetone.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_acetonitrile.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_benzene.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_ch2cl2.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_chcl3.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_cs2.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_dmf.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_dmso.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_ether.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_h2o.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_methanol.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_nhexan.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_thf.inc: Cannot stat: No such file or directory
cpio: riscv64-redhat-linux-gnu/param_gbsa_toluene.inc: Cannot stat: No such file or directory
10944 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.V5Nybm
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.1
+ /usr/bin/meson test -C riscv64-redhat-linux-gnu --num-processes 4 --print-errorlogs
ninja: Entering directory `/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu'
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 1/84 Argparser: print version  FAIL           1.04s (exit status 2)
 2/84 Argparser: print help     FAIL           1.07s (exit status 2)
 3/84 Argparser: print license  FAIL           1.07s (exit status 2)
 4/84 Argparser: no arguments   EXPECTEDFAIL   0.98s
 5/84 Info                      FAIL           0.87s (exit status 2)
 6/84 Singlepoint               FAIL           0.68s (exit status 2)
 7/84 Geometry opt.             FAIL           0.72s (exit status 2)
 8/84 IP/EA                     FAIL           0.93s (exit status 2)
 9/84 GFN0-xTB                  FAIL           0.69s (exit status 2)
10/84 GFN1-xTB                  FAIL           0.86s (exit status 2)
11/84 GFN2-xTB/GBSA             FAIL           0.68s (exit status 2)
12/84 GFN-FF                    FAIL           0.72s (exit status 2)
13/84 Molecule: axis            FAIL           0.82s (exit status 2)
14/84 Molecule: MIC             FAIL           0.90s (exit status 2)
15/84 Lattice points: PBC-3D    FAIL           0.98s (exit status 2)
16/84 Wigner-Seitz Cell (3D)    FAIL           0.91s (exit status 2)
17/84 coord 3D                  FAIL           0.93s (exit status 2)
18/84 coord 3D                  FAIL           0.71s (exit status 2)
19/84 coord 2D                  FAIL           1.31s (exit status 2)
20/84 coord 1D                  FAIL           1.28s (exit status 2)
21/84 coord 0D                  FAIL           0.94s (exit status 2)
22/84 Xmol  0D                  FAIL           1.29s (exit status 2)
23/84 POSCAR                    FAIL           0.73s (exit status 2)
24/84 molfile                   FAIL           0.89s (exit status 2)
25/84 molfile flat              FAIL           1.06s (exit status 2)
26/84 SDF                       FAIL           0.69s (exit status 2)
27/84 SDF flat                  FAIL           0.74s (exit status 2)
28/84 SDF no H                  EXPECTEDFAIL   0.73s
29/84 PDB                       FAIL           0.75s (exit status 2)
30/84 PDB no H                  EXPECTEDFAIL   0.82s
31/84 genFormat                 FAIL           1.13s (exit status 2)
32/84 PBC tools: convert        FAIL           0.74s (exit status 2)
33/84 PBC tools: cutoff         FAIL           0.66s (exit status 2)
34/84 Symmetry: Water           FAIL           0.98s (exit status 2)
35/84 Symmetry: Li8             FAIL           0.62s (exit status 2)
36/84 Symmetry: PCl3            FAIL           0.80s (exit status 2)
37/84 Symmetry: large           FAIL           0.96s (exit status 2)
38/84 Thermo: axis              FAIL           0.94s (exit status 2)
39/84 Thermo: calculation       FAIL           0.69s (exit status 2)
40/84 Thermo: print             FAIL           1.02s (exit status 2)
41/84 Repulsion: 0D             FAIL           0.62s (exit status 2)
42/84 Repulsion: 3D             FAIL           0.68s (exit status 2)
43/84 Coulomb: point (0D)       FAIL           0.74s (exit status 2)
44/84 Coulomb: point (3D)       FAIL           0.65s (exit status 2)
45/84 Coulomb: GFN1 (0D)        FAIL           0.75s (exit status 2)
46/84 Coulomb: GFN1 (3D)        FAIL           0.78s (exit status 2)
47/84 Coulomb: GFN2 (0D)        FAIL           0.80s (exit status 2)
48/84 Coulomb: GFN2 (3D)        FAIL           0.73s (exit status 2)
49/84 Coulomb: Gauss. (0D)      FAIL           0.66s (exit status 2)
50/84 Coulomb: Gauss. (3D)      FAIL           0.68s (exit status 2)
51/84 EEQ model: water          FAIL           0.65s (exit status 2)
52/84 EEQ model: 3D Ewald       FAIL           0.66s (exit status 2)
53/84 EEQ model: GBSA           FAIL           0.83s (exit status 2)
54/84 EEQ model: GBSA (salt)    FAIL           0.72s (exit status 2)
55/84 EEQ model: GBSA (H-bond)  FAIL           0.81s (exit status 2)
56/84 CN: latticepoints         FAIL           0.77s (exit status 2)
57/84 CN: neighbourlist         FAIL           0.66s (exit status 2)
58/84 DFT-D3: latticepoints     FAIL           0.71s (exit status 2)
59/84 DFT-D3: neighbourlist     FAIL           0.75s (exit status 2)
60/84 DFT-D3: threebody (LP)    FAIL           0.77s (exit status 2)
61/84 DFT-D3: threebody (NL)    FAIL           0.66s (exit status 2)
62/84 DFT-D4: latticepoints     FAIL           1.07s (exit status 2)
63/84 DFT-D4: neighbourlist     FAIL           0.76s (exit status 2)
64/84 DFT-D4: threebody (LP)    FAIL           0.76s (exit status 2)
65/84 DFT-D4: threebody (NL)    FAIL           0.92s (exit status 2)
66/84 GFN2-xTB: SCC             FAIL           0.66s (exit status 2)
67/84 GFN2-xTB: API             FAIL           0.64s (exit status 2)
68/84 GFN2-xTB: API (GBSA)      FAIL           0.85s (exit status 2)
69/84 GFN2-xTB: API (GBSA+salt) FAIL           0.68s (exit status 2)
70/84 GFN1-xTB: SCC             FAIL           0.64s (exit status 2)
71/84 GFN1-xTB: API             FAIL           0.75s (exit status 2)
72/84 GFN1-xTB: XB              FAIL           0.64s (exit status 2)
73/84 GFN1-xTB: PBC             FAIL           0.82s (exit status 2)
74/84 GFN1-xTB: API (GBSA)      FAIL           0.83s (exit status 2)
75/84 GFN1-xTB: API (PCEM)      FAIL           0.62s (exit status 2)
76/84 GFN0-xTB: SP              FAIL           0.81s (exit status 2)
77/84 GFN0-xTB: API             FAIL           0.95s (exit status 2)
78/84 GFN0-xTB: SRB             FAIL           0.89s (exit status 2)
79/84 GFN0-xTB: SP  (PBC)       FAIL           0.72s (exit status 2)
80/84 GFN0-xTB: API (PBC)       FAIL           0.84s (exit status 2)
81/84 GFN0-xTB: SRB (PBC)       FAIL           1.06s (exit status 2)
82/84 GFN-FF: SP                FAIL           0.64s (exit status 2)
83/84 GFN-FF: SP (HB)           FAIL           0.71s (exit status 2)
84/84 GFN-FF: GBSA              FAIL           0.69s (exit status 2)
Ok:                 0   
Expected Fail:      3   
Fail:               81  
Unexpected Pass:    0   
Skipped:            0   
Timeout:            0   
The output from 10 first failed tests:
 1/84 Argparser: print version  FAIL           1.04s (exit status 2)
--- command ---
14:03:08 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --version
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fd2da04bf in ???
#1  0x3fd2da0dd3 in ???
#2  0x3fd2da1093 in ???
#3  0x3fd2e640fd in ???
#4  0x2ad9b539d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2ad9c0713d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2ad9b319a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2ad9b319a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2ad9b319a1 in main
	at ../src/prog/primary.f90:20
-------
 2/84 Argparser: print help     FAIL           1.07s (exit status 2)
--- command ---
14:03:08 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --help
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fe1ddd4bf in ???
#1  0x3fe1ddddd3 in ???
#2  0x3fe1dde093 in ???
#3  0x3fe1ea10fd in ???
#4  0x2aae0449d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2aae0f813d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2aae0229a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2aae0229a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2aae0229a1 in main
	at ../src/prog/primary.f90:20
-------
 3/84 Argparser: print license  FAIL           1.07s (exit status 2)
--- command ---
14:03:08 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --license
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fc580a4bf in ???
#1  0x3fc580add3 in ???
#2  0x3fc580b093 in ???
#3  0x3fc58ce0fd in ???
#4  0x2ae19129d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2ae19c613d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2ae18f09a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2ae18f09a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2ae18f09a1 in main
	at ../src/prog/primary.f90:20
-------
 5/84 Info                      FAIL           0.87s (exit status 2)
--- command ---
14:03:09 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb info /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/coord/caffeine.coord /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/coord/quartz.3d.coord /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/vasp/ammonia.vasp /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/xyz/taxol.xyz
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fca5c64bf in ???
#1  0x3fca5c6dd3 in ???
#2  0x3fca5c7093 in ???
#3  0x3fca68a0fd in ???
#4  0x2ab73829d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2ab743613d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2ab73609a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2ab73609a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2ab73609a1 in main
	at ../src/prog/primary.f90:20
-------
 6/84 Singlepoint               FAIL           0.68s (exit status 2)
--- command ---
14:03:09 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --strict --norestart --namespace test1
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3ff1ab94bf in ???
#1  0x3ff1ab9dd3 in ???
#2  0x3ff1aba093 in ???
#3  0x3ff1b7d0fd in ???
#4  0x2adfd289d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2adfddc13d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2adfd069a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2adfd069a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2adfd069a1 in main
	at ../src/prog/primary.f90:20
-------
 7/84 Geometry opt.             FAIL           0.72s (exit status 2)
--- command ---
14:03:09 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --opt --strict --norestart --namespace test2
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fe7d1b4bf in ???
#1  0x3fe7d1bdd3 in ???
#2  0x3fe7d1c093 in ???
#3  0x3fe7ddf0fd in ???
#4  0x2adc7159d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2adc7c913d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2adc6f39a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2adc6f39a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2adc6f39a1 in main
	at ../src/prog/primary.f90:20
-------
 8/84 IP/EA                     FAIL           0.93s (exit status 2)
--- command ---
14:03:09 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 2 --vipea --strict --norestart --namespace test3
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fbb3054bf in ???
#1  0x3fbb305dd3 in ???
#2  0x3fbb306093 in ???
#3  0x3fbb3c90fd in ???
#4  0x2adfc919d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2adfd4513d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2adfc6f9a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2adfc6f9a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2adfc6f9a1 in main
	at ../src/prog/primary.f90:20
-------
 9/84 GFN0-xTB                  FAIL           0.69s (exit status 2)
--- command ---
14:03:10 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 0 --strict --norestart --namespace test4
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fc40614bf in ???
#1  0x3fc4061dd3 in ???
#2  0x3fc4062093 in ???
#3  0x3fc41250fd in ???
#4  0x2ac26e59d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2ac279913d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2ac26c39a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2ac26c39a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2ac26c39a1 in main
	at ../src/prog/primary.f90:20
-------
10/84 GFN1-xTB                  FAIL           0.86s (exit status 2)
--- command ---
14:03:10 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 1 --strict --norestart --namespace test5
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fcae9b4bf in ???
#1  0x3fcae9bdd3 in ???
#2  0x3fcae9c093 in ???
#3  0x3fcaf5f0fd in ???
#4  0x2ab29b79d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2ab2a6b13d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2ab29959a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2ab29959a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2ab29959a1 in main
	at ../src/prog/primary.f90:20
-------
11/84 GFN2-xTB/GBSA             FAIL           0.68s (exit status 2)
--- command ---
14:03:10 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 2 --strict --gbsa h2o --norestart --namespace test6
--- stderr ---
Fortran runtime error: Zero-length string passed as value to get_environment_variable.
Error termination. Backtrace:
#0  0x3fe28334bf in ???
#1  0x3fe2833dd3 in ???
#2  0x3fe2834093 in ???
#3  0x3fe28f70fd in ???
#4  0x2ad6bff9d9 in __xtb_mctc_systools_MOD_rdvar
	at ../src/mctc/mctc_systools.f90:152
#5  0x2ad6cb313d in __xtb_type_environment_MOD_initenvironment.constprop.0
	at ../src/type/environment.f90:173
#6  0x2ad6bdd9a1 in mctc_init_
	at ../src/mctc/mctc_init.f90:57
#7  0x2ad6bdd9a1 in xtb_prog_primary
	at ../src/prog/primary.f90:40
#8  0x2ad6bdd9a1 in main
	at ../src/prog/primary.f90:20
-------
Full log written to /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/meson-logs/testlog.txt
RPM build errors:
error: Bad exit status from /var/tmp/rpm-tmp.V5Nybm (%check)
    Bad exit status from /var/tmp/rpm-tmp.V5Nybm (%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