Mock Version: 2.6
Mock Version: 2.6
Mock Version: 2.6
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-383308-61780/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': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x3fca9a2220>timeout=432000uid=987gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv._ds2fieq:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=False)
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv._ds2fieq:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', '70aba055d2764b9a93ddff37fbc8ea82', '-D', '/var/lib/mock/f33-build-383308-61780/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv._ds2fieq:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', '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': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0'} and shell False
Building target platforms: riscv64
Building for target riscv64
setting SOURCE_DATE_EPOCH=1600300800
Wrote: /builddir/build/SRPMS/xtb-6.3.3-1.fc33.src.rpm
Child return code was: 0
ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'], chrootPath='/var/lib/mock/f33-build-383308-61780/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': 'C.UTF-8'}shell=Falselogger=<mockbuild.trace_decorator.getLog object at 0x3fca9a2220>timeout=432000uid=987gid=135user='mockbuild'nspawn_args=['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv._ds2fieq:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']unshare_net=TrueprintOutput=False)
Using nspawn with args ['--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv._ds2fieq:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11']
Executing command: ['/usr/bin/systemd-nspawn', '-q', '-M', 'a422d877ba6d403bbe70a1da96c99448', '-D', '/var/lib/mock/f33-build-383308-61780/root', '-a', '-u', 'mockbuild', '--capability=cap_ipc_lock', '--bind=/tmp/mock-resolv._ds2fieq:/etc/resolv.conf', '--bind=/dev/btrfs-control', '--bind=/dev/loop-control', '--bind=/dev/loop0', '--bind=/dev/loop1', '--bind=/dev/loop2', '--bind=/dev/loop3', '--bind=/dev/loop4', '--bind=/dev/loop5', '--bind=/dev/loop6', '--bind=/dev/loop7', '--bind=/dev/loop8', '--bind=/dev/loop9', '--bind=/dev/loop10', '--bind=/dev/loop11', '--console=pipe', '--setenv=TERM=vt100', '--setenv=SHELL=/bin/bash', '--setenv=HOME=/builddir', '--setenv=HOSTNAME=mock', '--setenv=PATH=/usr/bin:/bin:/usr/sbin:/sbin', '--setenv=PROMPT_COMMAND=printf "\\033]0;<mock-chroot>\\007"', '--setenv=PS1=<mock-chroot> \\s-\\v\\$ ', '--setenv=LANG=C.UTF-8', '--resolv-conf=off', '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': 'C.UTF-8', 'SYSTEMD_NSPAWN_TMPFS_TMP': '0'} and shell False
Building target platforms: riscv64
Building for target riscv64
setting SOURCE_DATE_EPOCH=1600300800
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.KNceuu
+ umask 022
+ cd /builddir/build/BUILD
+ cd /builddir/build/BUILD
+ rm -rf xtb-6.3.3
+ /usr/bin/gzip -dc /builddir/build/SOURCES/xtb-6.3.3.tar.gz
+ /usr/bin/tar -xof -
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd xtb-6.3.3
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
+ echo 'Patch #0 (xtb-6.3.2-fedora.patch):'
Patch #0 (xtb-6.3.2-fedora.patch):
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .fedoraver --fuzz=0
patching file meson.build
Patch #2 (xtb-6.3.1-lapack.patch):
+ echo 'Patch #2 (xtb-6.3.1-lapack.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .lapack --fuzz=0
patching file meson/meson.build
Patch #4 (xtb-6.3.2-environment.patch):
+ echo 'Patch #4 (xtb-6.3.2-environment.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .env --fuzz=0
patching file src/type/environment.f90
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.W994gv
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.3
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
+ export FCFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/meson --buildtype=plain --prefix=/usr --libdir=/usr/lib64 --libexecdir=/usr/libexec --bindir=/usr/bin --sbindir=/usr/sbin --includedir=/usr/include --datadir=/usr/share --mandir=/usr/share/man --infodir=/usr/share/info --localedir=/usr/share/locale --sysconfdir=/etc --localstatedir=/var --sharedstatedir=/var/lib --wrap-mode=nodownload --auto-features=enabled . riscv64-redhat-linux-gnu -Dla_backend=custom -Dcustom_libraries=flexiblas -Dtest_timeout=2000
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
The Meson build system
Version: 0.55.3
Source dir: /builddir/build/BUILD/xtb-6.3.3
Build dir: /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu
Build type: native build
Using 'PKG_CONFIG_PATH' from environment with value: ':/usr/lib64/pkgconfig:/usr/share/pkgconfig'
Using 'PKG_CONFIG_PATH' from environment with value: ':/usr/lib64/pkgconfig:/usr/share/pkgconfig'
Project name: xtb
Project version: 6.3.3
Using 'FFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
Using 'CC' from environment with value: 'gcc'
Using 'CFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
Using 'FFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules'
Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
Fortran compiler for the host machine: gfortran (gcc 10.2.1 "GNU Fortran (GCC) 10.2.1 20201125 (Red Hat 10.2.1-9)")
Fortran linker for the host machine: gfortran ld.bfd 2.35-15
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 20201125 (Red Hat 10.2.1-9)")
C linker for the host machine: gcc ld.bfd 2.35-15
Host machine cpu family: riscv64
Host machine cpu: riscv64
Program git found: NO
Configuring xtb_version.fh using configuration
meson.build:60: WARNING: The variable(s) 'author', 'date', 'origin' in the input file 'assets/templates/version.f90' are not present in the given configuration data.
Library flexiblas found: YES
Run-time dependency OpenMP found: YES 4.5
Run-time dependency threads found: YES
Program asciidoctor found: YES
Configuring xtb.1 with command
Configuring xcontrol.7 with command
Configuring config_env.bash using configuration
Configuring config_env.csh using configuration
Configuring xtb.pc using configuration
Configuring xtb.tcl using configuration
Build targets in project: 5
Option includedir is: include [default: include/xtb]
Option buildtype is: custom [default: debugoptimized]
Found ninja-1.10.1 at /usr/bin/ninja
++ date
+ date='Sat Dec 26 02:50:37 EST 2020'
+ cat
+ /usr/bin/meson compile -C riscv64-redhat-linux-gnu -j 4 --verbose
ninja: Entering directory `riscv64-redhat-linux-gnu'
[1/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_version.f90.o -c ../src/api/version.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/version.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/version.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[2/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_accuracy.f90.o -c ../src/mctc/accuracy.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/accuracy.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/accuracy.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[3/541] true
[4/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_math.f.o -c ../src/gfnff/math.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/math.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/math.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/math.f:61:14:
   61 |      ,     rab,rbc,thab,thbc,valijk,
      |              1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/gfnff/math.f:61:18:
   61 |      ,     rab,rbc,thab,thbc,valijk,
      |                  1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/gfnff/math.f:62:30:
   62 |      ,     vecnorm,nan,nbn,rcn,snanb,deter,pi
      |                              1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
[5/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_mrec.f90.o -c ../src/gfnff/mrec.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/mrec.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/mrec.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[6/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o -c ../src/gfnff/gfnff_rab.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_rab.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_rab.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_rab.f:31:24:
   31 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                        1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:31:27:
   31 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:18:35:
   18 |       subroutine gfnffdrab(n,at,xyz,cn,dcn,nsrb,srblist,rab,grab)
      |                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_rab.f:184:24:
  184 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                        1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:184:27:
  184 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_rab.f:184:15:
  184 |       integer m,i,j,k,ii,jj,ati,atj,ir,jr
      |               1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
[7/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_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
[8/541] true
[9/541] true
[10/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_data.f90.o -c ../src/gfnff/data.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/data.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[11/541] true
[12/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level1.f90.o -c ../src/mctc/blas/level1.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/level1.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/level1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[13/541] true
[14/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_approxrab.f90.o -c ../src/approxrab.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/approxrab.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/approxrab.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/approxrab.f90:216:17:
  216 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:216:21:
  216 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:200:35:
  200 | pure subroutine approx_rab(n,at,xyz,cn,dcndr,nsrb,srblist,shift,rab,grab)
      |                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/approxrab.f90:163:17:
  163 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:163:21:
  163 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:162:19:
  162 |    integer :: i,j,k,m
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:162:21:
  162 |    integer :: i,j,k,m
      |                     1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:168:21:
  168 |    real(wp) :: ff,tmp
      |                     1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:117:17:
  117 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:117:21:
  117 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:116:21:
  116 |    integer :: i,j,k,m
      |                     1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/approxrab.f90:98:39:
   98 | pure subroutine pbc_approx_rab(n,at,xyz,cn,dcndr,dcndL,nsrb,srblist,shift, &
      |                                       1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
[15/541] true
[16/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_frag_hess.f90.o -c ../src/gfnff/frag_hess.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/frag_hess.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/frag_hess.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/frag_hess.f90:213:36:
  213 |                  rmaxab(atj, ati) = jab(lin(atj, ati))/1.2
      |                                    1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/frag_hess.f90:353:47:
  353 |         integer                  :: i,j,ii,jj,k
      |                                               1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/gfnff/frag_hess.f90:94:43:
   94 |         integer  :: assigned_to_frag(nspin)
      |                                           1
Warning: Unused variable ‘assigned_to_frag’ declared at (1) [-Wunused-variable]
../src/gfnff/frag_hess.f90:524:24:
  524 | pure subroutine com(n,at,xyz,sum3)
      |                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
[17/541] true
[18/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level3.f90.o -c ../src/mctc/blas/level3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/level3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/level3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[19/541] true
[20/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o -c ../src/mctc/blas/wrap1.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/wrap1.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/wrap1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[21/541] true
[22/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_param.f90.o -c ../src/type/param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[23/541] true
[24/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o -c ../src/mctc/lapack/geneigval.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/geneigval.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/geneigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[25/541] true
[26/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o -c ../src/mctc/lapack/stdeigval.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/stdeigval.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/stdeigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[27/541] true
[28/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o -c ../src/mctc/boundaryconditions.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/boundaryconditions.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/boundaryconditions.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[29/541] true
[30/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_chartools.f90.o -c ../src/mctc/chartools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/chartools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/chartools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[31/541] true
[32/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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
[33/541] true
[34/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o -c ../src/mctc/blas/wrap3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/wrap3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/wrap3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/blas/wrap3.f90:77:41:
   77 | subroutine mctc_sgemm233(amat, bmat, cmat, transa, transb, alpha, beta)
      |                                         1
Warning: Unused dummy argument ‘cmat’ at (1) [-Wunused-dummy-argument]
../src/mctc/blas/wrap3.f90:61:31:
   61 |    character(len=1) :: tra, trb
      |                               1
Warning: Unused variable ‘trb’ declared at (1) [-Wunused-variable]
[35/541] true
[36/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_io.f90.o -c ../src/mctc/io.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/io.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/io.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[37/541] true
[38/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_filetypes.f90.o -c ../src/mctc/filetypes.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/filetypes.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/filetypes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[39/541] true
[40/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_namegen.f90.o -c ../src/mctc/namegen.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/namegen.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/namegen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[41/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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
[42/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o -c ../src/mctc/blas/wrap2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/blas/wrap2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/blas/wrap2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[43/541] true
[44/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_search.f90.o -c ../src/mctc/search.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/search.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/search.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[45/541] true
[46/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_sort.f90.o -c ../src/mctc/sort.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/sort.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/sort.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[47/541] true
[48/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_thresholds.f90.o -c ../src/mctc/thresholds.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/thresholds.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/thresholds.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[49/541] true
[50/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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
[51/541] true
[52/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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.f90:84:42: warning: ‘.tmp’ is used uninitialized in this function [-Wuninitialized]
   84 |    character(len=:), allocatable :: tmp(:)
      |                                          ^
[53/541] true
[54/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_systools.F90.o -c ../src/mctc/systools.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
[55/541] true
[56/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[57/541] true
[58/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_symbols.f90.o -c ../src/mctc/symbols.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/symbols.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/symbols.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[59/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_convert.f90.o -c ../src/mctc/convert.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/convert.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/convert.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[60/541] true
[61/541] true
[62/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o -c ../src/mctc/param/atomic_masses.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/param/atomic_masses.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/param/atomic_masses.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[63/541] true
[64/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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
[65/541] true
[66/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_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
[67/541] true
[68/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_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
[69/541] true
[70/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_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
[71/541] true
[72/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_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
[73/541] true
[74/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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
[75/541] true
[76/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[77/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_timings.f90.o -c ../src/mctc/mctc_timings.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_timings.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_timings.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/mctc_timings.f90:138:28:
  138 |    character(len=8)  :: date
      |                            1
Warning: Unused variable ‘date’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:139:28:
  139 |    character(len=10) :: time
      |                            1
Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:141:34:
  141 |    character(len=31) :: timestring
      |                                  1
Warning: Unused variable ‘timestring’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:142:30:
  142 |    integer(int64) :: values(8)
      |                              1
Warning: Unused variable ‘values’ declared at (1) [-Wunused-variable]
../src/mctc/mctc_timings.f90:140:28:
  140 |    character(len=5)  :: zone
      |                            1
Warning: Unused variable ‘zone’ declared at (1) [-Wunused-variable]
[78/541] true
[79/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[80/541] true
[81/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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]
[82/541] true
[83/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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
[84/541] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ lib_xtb.a.p/src_mctc_signal.c.o -MF lib_xtb.a.p/src_mctc_signal.c.o.d -o lib_xtb.a.p/src_mctc_signal.c.o -c ../src/mctc/signal.c
[85/541] true
[86/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_atomicrad.f90.o -c ../src/param/atomicrad.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/atomicrad.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/atomicrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[87/541] true
[88/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_atomicmass.f90.o -c ../src/param/atomicmass.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/atomicmass.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/atomicmass.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[89/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_covalentradd3.f90.o -c ../src/param/covalentradd3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/covalentradd3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/covalentradd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[90/541] true
[91/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_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
[92/541] true
[93/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[94/541] true
[95/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_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
[96/541] true
[97/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o -c ../src/param/sqrtzr4r2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/param/sqrtzr4r2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/param/sqrtzr4r2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[98/541] true
[99/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_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
[100/541] true
[101/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_buffer.f90.o -c ../src/type/buffer.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/buffer.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/buffer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/buffer.f90:19:8:
   19 |    use iso_fortran_env
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
[102/541] true
[103/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_data.f90.o -c ../src/type/data.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/data.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[104/541] true
[105/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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
[106/541] true
[107/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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
[108/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_atomlist.f90.o -c ../src/type/atomlist.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/atomlist.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/atomlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/atomlist.f90:348:42:
  348 |    character(len=:), allocatable :: buffer
      |                                          1
Warning: Unused variable ‘buffer’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:349:34:
  349 |    integer, allocatable :: list(:)
      |                                  1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:350:26:
  350 |    integer :: pos, last, n
      |                          1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:274:15:
  274 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:256:15:
  256 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:248:15:
  248 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:230:15:
  230 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/atomlist.f90:165:76:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                                            1
Warning: Unused dummy argument ‘iomsg’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:165:53:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                     1
Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:165:61:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                             1
Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:153:54:
  153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                      1
Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:153:62:
  153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                                              1
Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument]
../src/type/atomlist.f90:153:35:
  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.f90:165:34:
  165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg)
      |                                  ^
Warning: ‘atomlist_read_formatted’ defined but not used [-Wunused-function]
[109/541] true
[110/541] true
[111/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_basisset.f90.o -c ../src/type/basisset.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/basisset.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[112/541] true
[113/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_topology.f90.o -c ../src/gfnff/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[114/541] true
[115/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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
[116/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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
[117/541] true
[118/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_shake_module.f90.o -c ../src/gfnff/shake_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/shake_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/shake_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/shake_module.f90:71:15:
   71 |        real*8 r, dev,dist,denom
      |               1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:66:20:
   66 |        real*8 vel(3)
      |                    1
Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:64:22:
   64 |        real*8 virsh(3),tstep
      |                      1
Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:32:35:
   32 |        subroutine init_shake(nat,at,xyz,topo)
      |                                   1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/shake_module.f90:43:41:
   43 |        integer list(nat*(nat+1)/2),lin,ij
      |                                         1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:39:29:
   39 |        integer :: iat,jat,i,j,jmin
      |                             1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:39:34:
   39 |        integer :: iat,jat,i,j,jmin
      |                                  1
Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:43:38:
   43 |        integer list(nat*(nat+1)/2),lin,ij
      |                                      1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:43:34:
   43 |        integer list(nat*(nat+1)/2),lin,ij
      |                                  1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:40:24:
   40 |        real*8  :: minrij,rij,wthr
      |                        1
Warning: Unused variable ‘minrij’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:40:28:
   40 |        real*8  :: minrij,rij,wthr
      |                            1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:38:30:
   38 |        real*8  :: wbo(nat,nat)
      |                              1
Warning: Unused variable ‘wbo’ declared at (1) [-Wunused-variable]
../src/gfnff/shake_module.f90:40:33:
   40 |        real*8  :: minrij,rij,wthr
      |                                 1
Warning: Unused variable ‘wthr’ declared at (1) [-Wunused-variable]
[119/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_pcem.f90.o -c ../src/type/pcem.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/pcem.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/pcem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[120/541] true
[121/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gdisp0.f90.o -c ../src/gfnff/gdisp0.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gdisp0.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gdisp0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gdisp0.f90:103:36:
  103 |    integer :: iat, ati, iref, icount
      |                                    1
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
../src/gfnff/gdisp0.f90:43:36:
   43 |    integer :: iat, ati, iref, icount
      |                                    1
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
../src/gfnff/gdisp0.f90:28:28:
   28 | subroutine weight_references(nat, atoms, wf, cn, gwvec, gwdcn)
      |                            ^
Warning: ‘weight_references’ defined but not used [-Wunused-function]
../src/gfnff/gdisp0.f90:147:24:
  147 | subroutine get_atomic_c6(nat, atoms, gwvec, gwdcn, c6, dc6dcn)
      |                        ^
Warning: ‘get_atomic_c6’ defined but not used [-Wunused-function]
../src/gfnff/gdisp0.f90:347:43:
  347 | real(wp) pure elemental function pair_scale(iat, jat) result(scale)
      |                                           ^
Warning: ‘pair_scale’ defined but not used [-Wunused-function]
[122/541] true
[123/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_reader.F90.o -c ../src/type/reader.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
[124/541] true
[125/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_environment.f90.o -c ../src/type/environment.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/environment.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/environment.f90:245:17:
  245 | subroutine getLog(self, message)
      |                 1
Warning: ‘getlog’ declared at (1) may shadow the intrinsic of the same name.  In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow]
../src/type/environment.f90:254:22:
  254 |    logical :: isError0
      |                      1
Warning: Unused variable ‘iserror0’ declared at (1) [-Wunused-variable]
../src/type/environment.f90:196:18:
  196 |    integer :: iLog
      |                  1
Warning: Unused variable ‘ilog’ declared at (1) [-Wunused-variable]
[126/541] true
[127/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_timer.f90.o -c ../src/type/timer.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/timer.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/timer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/timer.f90:122:23:
  122 |       msg = self%tag(i)
      |                       1
Warning: CHARACTER expression will be truncated in assignment (26/40) at (1) [-Wcharacter-truncation]
[128/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_setvar.f90.o -c ../src/type/setvar.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/setvar.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/setvar.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[129/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_gst.f90.o -c ../src/mctc/lapack/gst.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/gst.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/gst.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[130/541] true
[131/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[132/541] true
[133/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o -c ../src/gfnff/gfnff_param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_param.f90:351:31:
  351 |    subroutine gfnff_set_param(n, gen, param)
      |                               1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
[134/541] true
[135/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_global.f90.o -c ../src/mctc/mctc_global.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_global.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_global.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[136/541] true
[137/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_init.f90.o -c ../src/mctc/mctc_init.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/mctc_init.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/mctc_init.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/mctc_init.f90:20:7:
   20 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/mctc/mctc_init.f90:20:7:
   20 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
[138/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_error.f90.o -c ../src/mctc/error.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/error.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/error.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/error.f90:18:34:
   18 | subroutine raise(mode,message,code)
      |                                  1
Warning: Unused dummy argument ‘code’ at (1) [-Wunused-dummy-argument]
[139/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_trf.f90.o -c ../src/mctc/lapack/trf.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/trf.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/trf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/lapack/trf.f90:393:47:
  393 |    integer :: info, n, stat_alloc, stat_dealloc, nn
      |                                               1
Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable]
../src/mctc/lapack/trf.f90:362:47:
  362 |    integer :: info, n, stat_alloc, stat_dealloc, nn
      |                                               1
Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable]
[140/541] true
[141/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_tri.f90.o -c ../src/mctc/lapack/tri.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/lapack/tri.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/lapack/tri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[142/541] true
[143/541] true
[144/541] true
[145/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_solvation.f90.o -c ../src/type/solvation.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/solvation.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/solvation.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[146/541] true
[147/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_topology.f90.o -c ../src/type/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/topology.f90:122:31:
  122 |    integer :: pos, last, length
      |                               1
Warning: Unused variable ‘length’ declared at (1) [-Wunused-variable]
../src/type/topology.f90:122:17:
  122 |    integer :: pos, last, length
      |                 1
Warning: Unused variable ‘pos’ declared at (1) [-Wunused-variable]
[148/541] true
[149/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[150/541] true
[151/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[152/541] true
[153/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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
[154/541] true
[155/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_wavefunction.f90.o -c ../src/type/wavefunction.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/wavefunction.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/wavefunction.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[156/541] true
[157/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[158/541] true
[159/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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
[160/541] true
[161/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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.f90:202:80: warning: ‘nws’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  202 |          call bisectSearch(nWs, wsDist2(1:nWs), wsDist2(1)+wsTol2, tolSameDist2)
      |                                                                                ^
[162/541] true
[163/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[164/541] true
[165/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[166/541] true
[167/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_cm5.f90.o -c ../src/solv/cm5.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/cm5.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/cm5.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/cm5.f90:34:25:
   34 | real(wp) :: dist,bkk,bkkd,bkkda
      |                         1
Warning: Unused variable ‘bkkd’ declared at (1) [-Wunused-variable]
[168/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_freq_utils.f90.o -c ../src/freq/utils.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/freq/utils.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/freq/utils.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[169/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_restart.f90.o -c ../src/type/restart.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/restart.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/restart.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[170/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_math.f90.o -c ../src/mctc/math.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/math.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/math.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/math.f90:171:17:
  171 |    integer   i, j
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
[171/541] true
[172/541] true
[173/541] true
[174/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_born.f90.o -c ../src/solv/born.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/born.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/born.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/born.f90:141:34:
  141 |    real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12
      |                                  1
Warning: Unused variable ‘rh2’ declared at (1) [-Wunused-variable]
../src/solv/born.f90:70:27:
   70 |    real(wp) :: th, ch, alpi, beti, gami
      |                           1
Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable]
../src/solv/born.f90:70:33:
   70 |    real(wp) :: th, ch, alpi, beti, gami
      |                                 1
Warning: Unused variable ‘beti’ declared at (1) [-Wunused-variable]
../src/solv/born.f90:70:39:
   70 |    real(wp) :: th, ch, alpi, beti, gami
      |                                       1
Warning: Unused variable ‘gami’ declared at (1) [-Wunused-variable]
../src/solv/born.f90: In function ‘__xtb_solv_born_MOD_compute_bornr’:
../src/solv/born.f90:305:48: warning: ‘r1’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  305 |          dgj = -2.0_wp*rhab/ab+(rhab-lnab)*r1*r1
      |                                                ^
../src/solv/born.f90:141:38: note: ‘r1’ was declared here
  141 |    real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12
      |                                      ^
[175/541] true
[176/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_linalg.f90.o -c ../src/mctc/linalg.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mctc/linalg.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mctc/linalg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mctc/linalg.f90:306:34:
  306 |    real(dp),allocatable :: temp(:)
      |                                  1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/mctc/linalg.f90:271:34:
  271 |    real(sp),allocatable :: temp(:)
      |                                  1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
[177/541] true
[178/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_sasa.f90.o -c ../src/solv/sasa.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/sasa.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/sasa.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/sasa.f90:162:21:
  162 |    real(wp) :: uj,uj3,ah3uj2
      |                     1
Warning: Unused variable ‘uj3’ declared at (1) [-Wunused-variable]
../src/solv/sasa.f90:76:18:
   76 |    integer iat,jat
      |                  1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/solv/sasa.f90:77:24:
   77 |    integer ip,jj,nnj,nnk
      |                        1
Warning: Unused variable ‘nnk’ declared at (1) [-Wunused-variable]
[179/541] true
[180/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_state.f90.o -c ../src/solv/state.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/state.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/state.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[181/541] true
[182/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_kernel.f90.o -c ../src/solv/kernel.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/kernel.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/kernel.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/kernel.f90:731:31:
  731 |    real(wp) :: r1, ab, arg, eab, fgb, dfgb, bp
      |                               1
Warning: Unused variable ‘eab’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:677:30:
  677 |    real(wp) :: aa, r2, gg, arg, bp
      |                              1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:678:28:
  678 |    real(wp) :: dd, expd, fgb, fgb2, dfgb
      |                            1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:677:25:
  677 |    real(wp) :: aa, r2, gg, arg, bp
      |                         1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:672:24:
  672 |    integer  :: i, j, nnj
      |                        1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:618:30:
  618 |    real(wp) :: aa, r2, gg, arg, bp
      |                              1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:618:34:
  618 |    real(wp) :: aa, r2, gg, arg, bp
      |                                  1
Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:613:24:
  613 |    integer  :: i, j, nnj
      |                        1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:527:26:
  527 |    real(wp) :: gg,expa,aii,egb
      |                          1
Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:33:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:525:33:
  525 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:527:22:
  527 |    real(wp) :: gg,expa,aii,egb
      |                      1
Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:525:24:
  525 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                        1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:527:17:
  527 |    real(wp) :: gg,expa,aii,egb
      |                 1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:520:19:
  520 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:520:23:
  520 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:526:52:
  526 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                                    1
Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:24:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:28:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:528:20:
  528 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:423:26:
  423 |    real(wp) :: gg,expa,aii,egb
      |                          1
Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:33:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:421:33:
  421 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:416:19:
  416 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:416:23:
  416 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:24:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:28:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:424:20:
  424 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:311:54:
  311 |    real(wp) :: dEdbri, dEdbrj, dG(3), ap, bp, dS(3, 3)
      |                                                      1
Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:310:61:
  310 |    real(wp) :: vec(3), r2, r1, ab, arg1, arg16, qq, fgb, fgb2, dfgb, dfgb2, egb
      |                                                             1
Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:36:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                                    1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:208:37:
  208 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                                     1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:210:23:
  210 |    real(wp) :: gg, expa
      |                       1
Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:208:26:
  208 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                          1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:210:17:
  210 |    real(wp) :: gg, expa
      |                 1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:204:21:
  204 |    integer :: i, j, k, nnj
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:204:26:
  204 |    integer :: i, j, k, nnj
      |                          1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:209:65:
  209 |    real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg
      |                                                                 1
Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:25:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                         1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:30:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                              1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:211:20:
  211 |    real(wp) :: r0vdw, r01, r02, ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:36:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                                    1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:100:37:
  100 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                                     1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:101:40:
  101 |    real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg
      |                                        1
Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:100:32:
  100 |    real(wp) :: aa, r2, fgb, fgb2, br3
      |                                1
Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:96:21:
   96 |    integer :: i, j, k, nnj
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:96:26:
   96 |    integer :: i, j, k, nnj
      |                          1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:25:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                         1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:30:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                              1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/kernel.f90:103:20:
  103 |    real(wp) :: r0vdw, r01, r02, ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
[183/541] true
[184/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_input.F90.o -c ../src/solv/input.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
../src/solv/input.F90:87:0:
   87 | function pgiWrapper(solvent, alpb, kernel, state, temperature, nAng, &
      | 
Warning: ‘pgiwrapper’ defined but not used [-Wunused-function]
[185/541] true
[186/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_anharmlib.f90.o -c ../src/anharmlib.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/anharmlib.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/anharmlib.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/anharmlib.f90:34:27:
   34 |    integer i,j,k,kk,mem,it1,it2,icall
      |                           1
Warning: Unused variable ‘it1’ declared at (1) [-Wunused-variable]
../src/anharmlib.f90: In function ‘__xtb_anharmlib_MOD_curveanal’:
../src/anharmlib.f90:82:45: warning: ‘mem’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   82 |       ityp(k)=2+int(sign(1.0d0,yy2(list(k))))
      |                                             ^
[187/541] true
[188/541] true
[189/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_basic_geo.f90.o -c ../src/basic_geo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/basic_geo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/basic_geo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/basic_geo.f90:380:27:
  380 |       real(wp) vecnorm,rkjn,rljn,rnn,rvn
      |                           1
Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:380:32:
  380 |       real(wp) vecnorm,rkjn,rljn,rnn,rvn
      |                                1
Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:259:18:
  259 |       real(wp) rab,rbc,thab,thbc,valijk
      |                  1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:259:22:
  259 |       real(wp) rab,rbc,thab,thbc,valijk
      |                      1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:260:34:
  260 |       real(wp) vecnorm,nan,nbn,rcn,snanb,deter,test
      |                                  1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:102:41:
  102 |       real(wp) sinphi,cosphi,onenner,thab,thbc
      |                                         1
Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:102:46:
  102 |       real(wp) sinphi,cosphi,onenner,thab,thbc
      |                                              1
Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable]
../src/basic_geo.f90:107:51:
  107 |       real(wp) xyz(3,nat),phi,vecnorm,nenner,eps,vz
      |                                                   1
Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable]
[190/541] true
[191/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[192/541] true
[193/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_blowsy.f90.o -c ../src/blowsy.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/blowsy.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/blowsy.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[194/541] true
[195/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[196/541] true
[197/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[198/541] true
[199/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[200/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_data.f90.o -c ../src/xtb/data.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/data.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/data.f90:690:42:
  690 |    integer :: nElem, iZp, iSh, lAng, iKind
      |                                          1
Warning: Unused variable ‘ikind’ declared at (1) [-Wunused-variable]
../src/xtb/data.f90:619:35:
  619 | subroutine initCoulomb(self, nShell, chemicalHardness, shellHardness, &
      |                                   1
Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument]
../src/xtb/data.f90:368:36:
  368 | subroutine writeInfo(self, unit, num)
      |                                    1
Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument]
[201/541] true
[202/541] true
[203/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[204/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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.f90:261:45: warning: ‘x_wert’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  261 |             x_wert = x_wert + x_schritt*e2(i)
      |                                             ^
[205/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_david2.f90.o -c ../src/david2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/david2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/david2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/david2.f90:286:18:
  285 |    do i=1,n
      |           2       
  286 |       adiag(i)=HP(i*(i-1)/2)
      |                  1
Warning: Array reference at (1) out of bounds (0 < 1) in loop beginning at (2)
../src/david2.f90:250:35:
  250 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                   1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david2.f90:241:42:
  241 |    integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2
      |                                          1
Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable]
../src/david2.f90:239:24:
  239 |    integer iter,ineue(1),janf!,lun1,lun2
      |                        1
Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable]
../src/david2.f90:239:29:
  239 |    integer iter,ineue(1),janf!,lun1,lun2
      |                             1
Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable]
../src/david2.f90:240:49:
  240 |    integer iideks(maxiter),idum,j,jalt,ilauf,jneu
      |                                                 1
Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable]
../src/david2.f90:250:52:
  250 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                    1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
../src/david2.f90:52:35:
   52 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                   1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david2.f90:45:42:
   45 |    integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2
      |                                          1
Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable]
../src/david2.f90:43:24:
   43 |    integer iter,ineue(1),janf,lun1,lun2
      |                        1
Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable]
../src/david2.f90:43:29:
   43 |    integer iter,ineue(1),janf,lun1,lun2
      |                             1
Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable]
../src/david2.f90:44:49:
   44 |    integer iideks(maxiter),idum,j,jalt,ilauf,jneu
      |                                                 1
Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable]
../src/david2.f90:52:52:
   52 |    real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                    1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
[206/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_wrgbw.f90.o -c ../src/wrgbw.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/wrgbw.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/wrgbw.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/wrgbw.f90:19:21:
   19 |    use, intrinsic :: iso_fortran_env
      |                     1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/wrgbw.f90:82:55:
   82 |    integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount
      |                                                       1
Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable]
[207/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_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
[208/541] true
[209/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_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
[210/541] true
[211/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_charge_model.f90.o -c ../src/charge_model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/charge_model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/charge_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[212/541] true
[213/541] true
[214/541] true
[215/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_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]
[216/541] true
[217/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_define.f90.o -c ../src/define.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/define.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/define.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[218/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[219/541] true
[220/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_elem.f90.o -c ../src/elem.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/elem.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/elem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[221/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[222/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[223/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[224/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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:395:13: warning: ‘c’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  395 |          IF (ABS (E2(L)).LE.ABS (C/H))  GO TO 80
      |             ^
[225/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_foden.f90.o -c ../src/foden.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/foden.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/foden.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[226/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_fixparam.f90.o -c ../src/fixparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/fixparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/fixparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/fixparam.f90:84:23:
   84 |    integer  :: i,ii,j,k,l,m,mm
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/fixparam.f90:84:25:
   84 |    integer  :: i,ii,j,k,l,m,mm
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/fixparam.f90:84:30:
   84 |    integer  :: i,ii,j,k,l,m,mm
      |                              1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
[227/541] true
[228/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[229/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[230/541] true
[231/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_getsymnum.f90.o -c ../src/getsymnum.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/getsymnum.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/getsymnum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[232/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[233/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_ifind.f90.o -c ../src/ifind.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/ifind.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/ifind.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ifind.f90: In function ‘ifind_’:
../src/ifind.f90:33:18: warning: ‘mem’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   33 | end function ifind
      |                  ^
../src/ifind.f90:22:16: note: ‘mem’ was declared here
   22 |    integer i,mem
      |                ^
[234/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_header.f90.o -c ../src/header.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/header.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/header.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[235/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_david.f.o -c ../src/david.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/david.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/david.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/david.f:653:17:
  653 |       integer i,m,mp1
      |                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/david.f:653:21:
  653 |       integer i,m,mp1
      |                     1
Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable]
../src/david.f:328:17:
  328 |       integer i,m,mp1
      |                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/david.f:328:21:
  328 |       integer i,m,mp1
      |                     1
Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable]
../src/david.f:60:36:
   60 |       real*8, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                    1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david.f:60:53:
   60 |       real*8, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                     1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
../src/david.f:385:36:
  385 |       real*4, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                    1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/david.f:385:53:
  385 |       real*4, allocatable :: AB(:,:),av(:),tmpav(:,:)
      |                                                     1
Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable]
[236/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lindh.f90.o -c ../src/lindh.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lindh.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lindh.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/lindh.f90:21:12:
   21 |    integer k, l
      |            1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/lindh.f90:21:15:
   21 |    integer k, l
      |               1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:51:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                                   1
Warning: Unused variable ‘eij’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:46:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                                              1
Warning: Unused variable ‘eijk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:67:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                                                   1
Warning: Unused variable ‘ejk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:28:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                            1
Warning: Unused variable ‘ekl’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:43:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                           1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:37:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                                     1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:165:59:
  165 |    Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),&
      |                                                           1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/lindh.f90:166:20:
  166 |       &       Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),&
      |                    1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
[237/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lin.f90.o -c ../src/lin.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lin.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lin.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[238/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[239/541] true
[240/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[241/541] true
[242/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[243/541] true
[244/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_dtrafo.f90.o -c ../src/dtrafo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/dtrafo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/dtrafo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/dtrafo.f90:248:24:
  248 |   integer i,j,k,ii,jj,kk,iii,jjj,li,lj,mm,nn,m,n
      |                        1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/dtrafo.f90:34:24:
   34 |   integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n
      |                        1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/dtrafo.f90:34:36:
   34 |   integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n
      |                                    1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
[245/541] true
[246/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_dipole.f90.o -c ../src/dipole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/dipole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/dipole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/dipole.f90:94:27:
   94 | subroutine calc_dipole(n,at,xyz,z,nao,P,dpint,dip,d)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/dipole.f90:38:65:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                                                 1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/dipole.f90:39:27:
   39 |    real(wp) :: point(3),gm2,ttt(3),tt1,tt2,tt3,intcut
      |                           1
Warning: Unused variable ‘gm2’ declared at (1) [-Wunused-variable]
../src/dipole.f90:34:22:
   34 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:36:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                    1
Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:39:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                       1
Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:31:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                               1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/dipole.f90:38:56:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                                        1
Warning: Unused variable ‘lmnfak’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:33:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:42:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                          1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/dipole.f90:37:45:
   37 |    integer  :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn
      |                                             1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/dipole.f90:38:41:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                         1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/dipole.f90:38:45:
   38 |    real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg
      |                                             1
Warning: Unused variable ‘sss’ declared at (1) [-Wunused-variable]
[247/541] true
[248/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
      |                                                  ^
[249/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_lopt.f90.o -c ../src/lopt.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/lopt.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/lopt.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/lopt.f90:233:9:
  233 |       200 continue
      |         1
Warning: Label 200 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:223:12:
  223 |          110         ij=ij+1
      |            1
Warning: Label 110 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:213:20:
  213 |                   90                           jl=jl+l
      |                    1
Warning: Label 90 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:200:20:
  200 |                   70                          jl=jl+l
      |                    1
Warning: Label 70 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:159:17:
  159 |                40              continue
      |                 1
Warning: Label 40 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:137:17:
  137 |                30                  b=b+aqu*aux1**2-aux2**2
      |                 1
Warning: Label 30 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:100:8:
  100 |       22  continue
      |        1
Warning: Label 22 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:98:11:
   98 |          21          opn=opn+op(i,k)**2
      |           1
Warning: Label 21 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:83:11:
   83 |          20          d(i,i)=a1
      |           1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:81:14:
   81 |             10              d(j,i)=a0-accr*i+accr*i*j
      |              1
Warning: Label 10 at (1) defined but not used [-Wunused-label]
../src/lopt.f90:37:18:
   37 |    integer :: auxi
      |                  1
Warning: Unused variable ‘auxi’ declared at (1) [-Wunused-variable]
[250/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[251/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[252/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_intgrad.f90.o -c ../src/intgrad.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/intgrad.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/intgrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/intgrad.f90:1048:52:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                    1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1053:19:
 1053 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:14:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:17:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:20:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:43:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1052:27:
 1052 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                           1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1052:30:
 1052 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                              1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:14:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:38:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:41:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:35:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:44:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:47:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                               1
Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:18:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:29:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:20:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:50:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:53:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                                     1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1045:32:
 1045 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1012:44:
 1012 | subroutine sdqint(nShell,angShell,nat,at,nbf,nao,xyz,intcut,caoshell,saoshell, &
      |                                            1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/intgrad.f90:1053:27:
 1053 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:18:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:21:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:34:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:30:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1047:25:
 1047 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:15:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:36:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:42:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:27:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:30:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:33:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:36:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:41:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                         1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:26:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1046:31:
 1046 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:1048:24:
 1048 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:962:17:
  962 |    real(wp) :: ab,est,saw(10),sawg(3,10)
      |                 1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:961:42:
  961 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:891:42:
  891 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:809:20:
  809 |    real(wp)  :: d(3),dd(0:8,3),gg(0:8,3),va(3),val(3),gra(3),t
      |                    1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:809:46:
  809 |    real(wp)  :: d(3),dd(0:8,3),gg(0:8,3),va(3),val(3),gra(3),t
      |                                              1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:381:15:
  381 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:351:15:
  351 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/intgrad.f90:244:20:
  244 |    integer ii,jj,m,n
      |                    1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
[253/541] true
[254/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_ls_rmsd.f90.o -c ../src/ls_rmsd.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/ls_rmsd.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/ls_rmsd.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/ls_rmsd.f90:57:35:
   57 |   real(dp), dimension(4,4) :: S, dS
      |                                   1
Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:55:40:
   55 |   real(dp) :: x_norm, y_norm, lambda, y1, y2, y3
      |                                        1
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:55:44:
   55 |   real(dp) :: x_norm, y_norm, lambda, y1, y2, y3
      |                                            1
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/ls_rmsd.f90:55:48:
   55 |   real(dp) :: x_norm, y_norm, lambda, y1, y2, y3
      |                                                1
Warning: Unused variable ‘y3’ declared at (1) [-Wunused-variable]
[255/541] true
[256/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[257/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_onetri.f90.o -c ../src/onetri.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/onetri.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/onetri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[258/541] true
[259/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_lebedev.f90.o -c ../src/solv/lebedev.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/lebedev.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/lebedev.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/lebedev.f90:431:18:
  431 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:410:18:
  410 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:390:18:
  390 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:373:18:
  373 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:358:18:
  358 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:344:16:
  344 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:344:18:
  344 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:332:16:
  332 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:332:18:
  332 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:322:16:
  322 |    real(wp) :: a,b,v
      |                1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/solv/lebedev.f90:322:18:
  322 |    real(wp) :: a,b,v
      |                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
[260/541] true
[261/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[262/541] true
[263/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_aespot.f90.o -c ../src/aespot.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/aespot.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/aespot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/aespot.f90:1092:27:
 1092 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1096:61:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1096:35:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:16:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1092:18:
 1092 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1093:14:
 1093 |    real(wp) f1,f2,tmp(6,6),r(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1093:17:
 1093 |    real(wp) f1,f2,tmp(6,6),r(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:12:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:56:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                        1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:14:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:38:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:41:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:35:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:44:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:47:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                               1
Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:18:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:60:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                            1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:29:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:20:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:50:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                  1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:53:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                                     1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1097:32:
 1097 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1065:45:
 1065 | subroutine dsint(nShell,hData,thr,nat,nao,nbf,at,xyz,sqrab,caoshell,saoshell,nprim,primcount, &
      |                                             1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:1094:47:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:57:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1096:48:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:21:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                     1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:18:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:21:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:37:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:44:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1094:25:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1094:34:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1094:43:
 1094 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1095:30:
 1095 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:57:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:53:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:48:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:15:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1065:58:
 1065 | subroutine dsint(nShell,hData,thr,nat,nao,nbf,at,xyz,sqrab,caoshell,saoshell,nprim,primcount, &
      |                                                          1
Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:1096:22:
 1096 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:31:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:37:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:43:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:27:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:30:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:33:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:36:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1092:16:
 1092 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:16:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:21:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1090:26:
 1090 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:1091:24:
 1091 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/aespot.f90:949:18:
  949 |    real(wp) rco,f1,f2
      |                  1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:949:21:
  949 |    real(wp) rco,f1,f2
      |                     1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:926:14:
  926 |    integer i,j,k
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:926:16:
  926 |    integer i,j,k
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:24:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                        1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:27:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                           1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:32:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:925:37:
  925 |    real(wp) rco,t1,t2,t3,t4,tmp1,tmp2
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:901:14:
  901 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:838:29:
  838 | subroutine mmomgabzero(nat,at,xyz,kdmp3,kdmp5,radcn,gab3,gab5)
      |                             1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:847:22:
  847 |    integer i,j,k,l,lin
      |                      1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:18:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:20:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:30:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                              1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/aespot.f90:795:33:
  795 |    integer  :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk
      |                                 1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:689:28:
  689 | subroutine aniso_grad(nat,at,xyz,q,dipm,qp,kdmp3,kdmp5, &
      |                            1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:700:25:
  700 |    real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi
      |                         1
Warning: Unused variable ‘e01’ declared at (1) [-Wunused-variable]
../src/aespot.f90:700:29:
  700 |    real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi
      |                             1
Warning: Unused variable ‘e02’ declared at (1) [-Wunused-variable]
../src/aespot.f90:700:33:
  700 |    real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi
      |                                 1
Warning: Unused variable ‘e11’ declared at (1) [-Wunused-variable]
../src/aespot.f90:704:23:
  704 |    integer i,j,k,l,m,ki,kj,kl,mm
      |                       1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/aespot.f90:704:20:
  704 |    integer i,j,k,l,m,ki,kj,kl,mm
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:704:32:
  704 |    integer i,j,k,l,m,ki,kj,kl,mm
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/aespot.f90:702:45:
  702 |    real(wp) dgab3,dgab5,damp1,damp2,ddamp,qs2
      |                                             1
Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:38:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                      1
Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:44:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                            1
Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:16:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:36:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                                    1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:27:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                           1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:519:30:
  519 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                              1
Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable]
../src/aespot.f90:516:51:
  516 |    real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a
      |                                                   1
Warning: Unused variable ‘t1a’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:20:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                    1
Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:24:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                        1
Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:516:59:
  516 |    real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a
      |                                                           1
Warning: Unused variable ‘t3a’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:28:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                            1
Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:516:63:
  516 |    real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a
      |                                                               1
Warning: Unused variable ‘t4a’ declared at (1) [-Wunused-variable]
../src/aespot.f90:517:32:
  517 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                1
Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:38:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                      1
Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:44:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                            1
Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:16:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:36:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                                    1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:27:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                           1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:389:30:
  389 |    integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm
      |                              1
Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:20:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                    1
Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:24:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                        1
Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:28:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                            1
Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:387:32:
  387 |    real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5
      |                                1
Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable]
../src/aespot.f90:334:33:
  334 |    integer i,j,k,l,ii,jj,ij,kl,kj
      |                                 1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:334:30:
  334 |    integer i,j,k,l,ii,jj,ij,kl,kj
      |                              1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/aespot.f90:334:18:
  334 |    integer i,j,k,l,ii,jj,ij,kl,kj
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:257:23:
  257 |    integer i,j,k,l,m,ki,kj,kl
      |                       1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/aespot.f90:257:20:
  257 |    integer i,j,k,l,m,ki,kj,kl
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:250:44:
  250 |    real(wp) edd,e01,e02,e11,r2,tt,tt3,q1,qs2
      |                                            1
Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:147:37:
  147 |    integer i,j,k,l,ii,jj,ij,kl,kj,lin
      |                                     1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/aespot.f90:113:16:
  113 |    real(wp) aesi
      |                1
Warning: Unused variable ‘aesi’ declared at (1) [-Wunused-variable]
../src/aespot.f90:109:29:
  109 | subroutine unscalecamm(nat,at,dipm,qp)
      |                             1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:109:34:
  109 | subroutine unscalecamm(nat,at,dipm,qp)
      |                                  1
Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:114:16:
  114 |    integer i,iat
      |                1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/aespot.f90:92:27:
   92 | subroutine scalecamm(nat,at,dipm,qp)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:92:32:
   92 | subroutine scalecamm(nat,at,dipm,qp)
      |                                1
Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument]
../src/aespot.f90:96:16:
   96 |    integer i,iat
      |                1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:43:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:23:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                       1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:26:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                          1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:18:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:29:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:20:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/aespot.f90:47:32:
   47 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:18:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:21:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:15:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:27:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:30:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:33:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:36:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:43:26:
   43 |    real(wp) tmp1,tmp2,tmp3,tmp4
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/aespot.f90:43:31:
   43 |    real(wp) tmp1,tmp2,tmp3,tmp4
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/aespot.f90:44:24:
   44 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
[264/541] true
[265/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[266/541] true
[267/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_qmdff.f90.o -c ../src/qmdff.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/qmdff.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/qmdff.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qmdff.f90:1037:12:
 1037 |    &     rab,rbc,thab,thbc,valijk, &
      |            1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:1037:16:
 1037 |    &     rab,rbc,thab,thbc,valijk, &
      |                1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:1038:28:
 1038 |    &     vecnorm,nan,nbn,rcn,snanb,deter,pi
      |                            1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:994:24:
  994 | subroutine setmorse(n,at,thr,echo)
      |                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/qmdff.f90:946:17:
  946 |    real(wp):: alp= 6.d0
      |                 1
Warning: Unused variable ‘alp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:947:18:
  947 |    real(wp):: alp3=6.d0
      |                  1
Warning: Unused variable ‘alp3’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:31:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                               1
Warning: Unused variable ‘apref’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:37:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                                     1
Warning: Unused variable ‘aprod’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:938:23:
  938 |    real(wp)cosabh,aterm,rdampl
      |                       1
Warning: Unused variable ‘aterm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:938:17:
  938 |    real(wp)cosabh,aterm,rdampl
      |                 1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:19:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                   1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:34:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                                  1
Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:41:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                                         1
Warning: Unused variable ‘dg2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:940:34:
  940 |    real(wp)drah(3),drbh(3),drab(3)
      |                                  1
Warning: Unused variable ‘drab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:940:18:
  940 |    real(wp)drah(3),drbh(3),drab(3)
      |                  1
Warning: Unused variable ‘drah’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:940:26:
  940 |    real(wp)drah(3),drbh(3),drab(3)
      |                          1
Warning: Unused variable ‘drbh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:943:15:
  943 |    real(wp)eabh
      |               1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:16:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                1
Warning: Unused variable ‘ga’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:22:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                      1
Warning: Unused variable ‘gb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:941:28:
  941 |    real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3)
      |                            1
Warning: Unused variable ‘gh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:13:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |             1
Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:945:21:
  945 |    real(wp):: longcut=120.d0
      |                     1
Warning: Unused variable ‘longcut’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:14:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |              1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:27:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                           1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:18:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                  1
Warning: Unused variable ‘rah’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:32:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                1
Warning: Unused variable ‘rah2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:42:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                          1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:942:25:
  942 |    real(wp)gi,denom,ratio,apref,aprod
      |                         1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:22:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                      1
Warning: Unused variable ‘rbh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:37:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                     1
Warning: Unused variable ‘rbh2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:939:47:
  939 |    real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                               1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:938:30:
  938 |    real(wp)cosabh,aterm,rdampl
      |                              1
Warning: Unused variable ‘rdampl’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:14:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |              1
Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:52:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                                    1
Warning: Unused variable ‘cb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:24:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                        1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:29:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                             1
Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:55:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                                       1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:22:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                      1
Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:52:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                    1
Warning: Unused variable ‘fa’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:55:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                       1
Warning: Unused variable ‘fb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:890:30:
  890 |    real(wp)xyz(3,n),energy,rab
      |                              1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:41:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                         1
Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:892:49:
  892 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                 1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:31:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:34:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:893:37:
  893 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:18:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                  1
Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:28:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                            1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:33:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                 1
Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:22:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                      1
Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:41:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                         1
Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:703:53:
  703 |    real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                     1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:31:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:34:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:704:37:
  704 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:14:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |              1
Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:24:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                        1
Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:29:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                             1
Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:22:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                      1
Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:41:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                         1
Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:657:49:
  657 |    real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb
      |                                                 1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:31:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:34:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:658:37:
  658 |    real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da
      |                                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:38:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                                      1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:34:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                                  1
Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:24:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                        1
Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:21:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                     1
Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:602:22:
  602 |    integer i1,i2,i,k,j
      |                      1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:603:29:
  603 |    real(wp)c1,c2,r,er,el,step,edum,dum
      |                             1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:523:39:
  523 |    real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0
      |                                       1
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:523:44:
  523 |    real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0
      |                                            1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:523:50:
  523 |    real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0
      |                                                  1
Warning: Unused variable ‘damp2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:56:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                                                        1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:66:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                                                  1
Warning: Unused variable ‘ban’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:49:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                                 1
Warning: Unused variable ‘ca’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:23:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                       1
Warning: Unused variable ‘cosna’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:49:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                 1
Warning: Unused variable ‘cosrph’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:57:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                         1
Warning: Unused variable ‘cosrph0’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:305:41:
  305 |    real(wp) :: c0,c1,c2,theta,sinth,costh,expo
      |                                         1
Warning: Unused variable ‘costh’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:46:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                              1
Warning: Unused variable ‘damp2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:296:46:
  296 |    real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3)
      |                                              1
Warning: Unused variable ‘dedd’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:38:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                      1
Warning: Unused variable ‘dedphi’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:55:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                                       1
Warning: Unused variable ‘dedt’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:58:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                                          1
Warning: Unused variable ‘dedtheta’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:63:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                                               1
Warning: Unused variable ‘dedu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:21:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                     1
Warning: Unused variable ‘dei’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:28:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                            1
Warning: Unused variable ‘dej’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:35:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                   1
Warning: Unused variable ‘dek’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:65:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                                                 1
Warning: Unused variable ‘dphi’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:25:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                         1
Warning: Unused variable ‘dphidri’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:36:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                    1
Warning: Unused variable ‘dphidrj’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:47:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                               1
Warning: Unused variable ‘dphidrk’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:58:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                                          1
Warning: Unused variable ‘dphidrl’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:39:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                                       1
Warning: Unused variable ‘eb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:63:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                               1
Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:60:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                                                            1
Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:30:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                              1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:300:17:
  300 |    integer  :: ib,id
      |                 1
Warning: Unused variable ‘ib’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:300:20:
  300 |    integer  :: ib,id
      |                    1
Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:47:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                               1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:60:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                                            1
Warning: Unused variable ‘it2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:41:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                         1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:307:31:
  307 |    real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el
      |                               1
Warning: Unused variable ‘kijkl’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:50:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                                  1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:309:38:
  309 |    integer  :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2
      |                                      1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:42:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                                          1
Warning: Unused variable ‘or’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:57:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                                         1
Warning: Unused variable ‘phix’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:62:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                                              1
Warning: Unused variable ‘pi6’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:51:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                                   1
Warning: Unused variable ‘rac2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:57:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                                         1
Warning: Unused variable ‘racut’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:304:46:
  304 |    real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban
      |                                              1
Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:30:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                              1
Warning: Unused variable ‘rcb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:18:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                  1
Warning: Unused variable ‘rt2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:35:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                                   1
Warning: Unused variable ‘rtru’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:26:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                          1
Warning: Unused variable ‘rtu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:297:22:
  297 |    real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega
      |                      1
Warning: Unused variable ‘ru2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:43:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                           1
Warning: Unused variable ‘sa’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:32:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                1
Warning: Unused variable ‘sinna’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:305:35:
  305 |    real(wp) :: c0,c1,c2,theta,sinth,costh,expo
      |                                   1
Warning: Unused variable ‘sinth’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:306:63:
  306 |    real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step
      |                                                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:21:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                     1
Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:303:26:
  303 |    real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij
      |                          1
Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:293:37:
  293 |    real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4)
      |                                     1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:294:45:
  294 |    real(wp) :: va(3),vb(3),vc(3),vd(3),vba(3),vcb(3),vdc(3),vab(3)
      |                                             1
Warning: Unused variable ‘vba’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:21:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                     1
Warning: Unused variable ‘vca’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:294:38:
  294 |    real(wp) :: va(3),vb(3),vc(3),vd(3),vba(3),vcb(3),vdc(3),vab(3)
      |                                      1
Warning: Unused variable ‘vd’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:28:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                            1
Warning: Unused variable ‘vdb’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:34:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                  1
Warning: Unused variable ‘vt’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:296:55:
  296 |    real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3)
      |                                                       1
Warning: Unused variable ‘vtmp1’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:296:64:
  296 |    real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3)
      |                                                                1
Warning: Unused variable ‘vtmp2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:47:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                               1
Warning: Unused variable ‘vtu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:295:40:
  295 |    real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3)
      |                                        1
Warning: Unused variable ‘vu’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:180:38:
  180 |    real(wp) :: qdum,r,xx(10),dum1,dum2
      |                                      1
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:179:34:
  179 |    integer  :: i,j,n,nn,nterm,idum,imass,ich
      |                                  1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:179:29:
  179 |    integer  :: i,j,n,nn,nterm,idum,imass,ich
      |                             1
Warning: Unused variable ‘nterm’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:180:21:
  180 |    real(wp) :: qdum,r,xx(10),dum1,dum2
      |                     1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:69:16:
   69 |    real(wp) :: e
      |                1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:70:21:
   70 |    real(wp) :: g(3,n)
      |                     1
Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable]
../src/qmdff.f90:59:26:
   59 | subroutine ff_ini(n,at,xyz,cn,s6)
      |                          1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/qmdff.f90: In function ‘__xtb_qmdff_MOD_ff_eg’:
../src/qmdff.f90:351:35: warning: ‘fac’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  351 |          g(ic,i)=g(ic,i)+fac*ra(ic)
      |                                   ^
[268/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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.f90:60:18: warning: ‘__result_ncore’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   60 | end function ncore
      |                  ^
../src/pqn.f90:37:37: note: ‘__result_ncore’ was declared here
   37 | pure elemental integer function ncore(at)
      |                                     ^
[269/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_pbc_tools.f90.o -c ../src/pbc_tools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/pbc_tools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/pbc_tools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/pbc_tools.f90:407:15:
  407 |    integer :: i,j,k
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/pbc_tools.f90:407:17:
  407 |    integer :: i,j,k
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/pbc_tools.f90:407:19:
  407 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[270/541] true
[271/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_printmold.f90.o -c ../src/printmold.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/printmold.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/printmold.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/printmold.f90:49:30:
   49 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                              1
Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable]
../src/printmold.f90:49:43:
   49 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                                           1
Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable]
../src/printmold.f90:158:13:
  158 |    real*8 dum
      |             1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/printmold.f90:157:30:
  157 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                              1
Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable]
../src/printmold.f90:157:43:
  157 |    integer i,j,k,icount,jcount,z,nmomax,nop
      |                                           1
Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable]
[272/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_gbsa.f90.o -c ../src/solv/gbsa.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/gbsa.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/gbsa.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/gbsa.f90:1150:18:
 1150 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:17:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                 1
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1112:26:
 1112 |    real(wp) :: gg,expa,aii,egb
      |                          1
Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:45:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                             1
Warning: Unused variable ‘ap’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:33:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                                 1
Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:48:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                                1
Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:33:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                                 1
Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:20:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                    1
Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:30:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                              1
Warning: Unused variable ‘dfgb’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:36:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                    1
Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:42:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                          1
Warning: Unused variable ‘dfgb3’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1115:20:
 1115 |    real(wp) :: dr(3),r
      |                    1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1112:22:
 1112 |    real(wp) :: gg,expa,aii,egb
      |                      1
Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:25:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                         1
Warning: Unused variable ‘expd’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:24:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                        1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:29:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                             1
Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1112:17:
 1112 |    real(wp) :: gg,expa,aii,egb
      |                 1
Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1114:21:
 1114 |    real(wp) :: grddbi,grddbj
      |                     1
Warning: Unused variable ‘grddbi’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1114:28:
 1114 |    real(wp) :: grddbi,grddbj
      |                            1
Warning: Unused variable ‘grddbj’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:15:
 1105 |    integer :: i,j,k,nnj
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:17:
 1105 |    integer :: i,j,k,nnj
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:19:
 1105 |    integer :: i,j,k,nnj
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1106:16:
 1106 |    integer :: kk
      |                1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1105:23:
 1105 |    integer :: i,j,k,nnj
      |                       1
Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:52:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                                                    1
Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1111:17:
 1111 |    real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg
      |                 1
Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1115:22:
 1115 |    real(wp) :: dr(3),r
      |                      1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:24:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                        1
Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:28:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                            1
Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1113:20:
 1113 |    real(wp) :: r0vdw,r01,r02,ar02
      |                    1
Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1110:20:
 1110 |    real(wp) :: aa,r2,fgb,fgb2,br3
      |                    1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1047:40:
 1047 | pure subroutine addGradientHBond(nat, at, q, hbw, dhbdw, dsdrt, ghb, gradient)
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:1026:26:
 1026 |    real(wp) :: hbed, dhbed
      |                          1
Warning: Unused variable ‘dhbed’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:24:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                        1
Warning: Unused variable ‘dsfw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1026:19:
 1026 |    real(wp) :: hbed, dhbed
      |                   1
Warning: Unused variable ‘hbed’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1025:17:
 1025 |    integer  :: iz, nhb
      |                 1
Warning: Unused variable ‘iz’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1029:16:
 1029 |    integer  :: j
      |                1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1025:22:
 1025 |    integer  :: iz, nhb
      |                      1
Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1027:34:
 1027 |    real(wp) :: smaxd, sasad, sasaw
      |                                  1
Warning: Unused variable ‘sasaw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:18:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                  1
Warning: Unused variable ‘sfw’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:36:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                                    1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:32:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                                1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1028:28:
 1028 |    real(wp) :: sfw, dsfw, w3, w2, w1
      |                            1
Warning: Unused variable ‘w3’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1030:23:
 1030 |    real(wp) :: wbh, wah
      |                       1
Warning: Unused variable ‘wah’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:1030:18:
 1030 |    real(wp) :: wbh, wah
      |                  1
Warning: Unused variable ‘wbh’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:948:18:
  948 |    real(wp) rcutn2, lrcut2, srcut2
      |                  1
Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:851:18:
  851 |    real(wp) rcutn2, lrcut2, srcut2
      |                  1
Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable]
../src/solv/gbsa.f90:603:32:
  603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient)
      |                                1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:603:37:
  603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient)
      |                                     1
Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:603:52:
  603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient)
      |                                                    1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:555:35:
  555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift)
      |                                   1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:555:45:
  555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift)
      |                                             1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:528:30:
  528 | subroutine getEnergy(self, env, qat, qsh, energy)
      |                              1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:528:40:
  528 | subroutine getEnergy(self, env, qat, qsh, energy)
      |                                        1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:498:29:
  498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift)
      |                             1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:498:39:
  498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift)
      |                                       1
Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:498:64:
  498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift)
      |                                                                1
Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:448:34:
  448 | subroutine addBornMatrix(self, env, num, xyz, bornMat)
      |                                  1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:448:39:
  448 | subroutine addBornMatrix(self, env, num, xyz, bornMat)
      |                                       1
Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:448:44:
  448 | subroutine addBornMatrix(self, env, num, xyz, bornMat)
      |                                            1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/solv/gbsa.f90:220:29:
  220 | subroutine initBorn(self, env, num, vdwRad, dielectricConst, freeEnergyShift, &
      |                             1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
[273/541] true
[274/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[275/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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.f90:503:63: 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.f90:508:37: note: ‘__result_ncore’ was declared here
  508 | pure elemental integer function ncore(at)
      |                                     ^
[276/541] true
[277/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_utils.f90.o -c ../src/api/utils.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/utils.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/utils.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/api/utils.f90:57:72:
   57 |    lhs(1:length) = transfer(rhs(1:length), lhs(1:length)) // c_null_char
      |                                                                        1
Warning: CHARACTER expression will be truncated in assignment (1/2) at (1) [-Wcharacter-truncation]
[278/541] true
[279/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_model_hessian.f90.o -c ../src/model_hessian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/model_hessian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/model_hessian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/model_hessian.f90:1484:8:
 1484 |    use iso_fortran_env, wp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/model_hessian.f90:1775:8:
 1775 |    use iso_fortran_env, wp => real64
      |        1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
../src/model_hessian.f90:2217:4:
 2217 |  777  Do kAtom = 1, nAtoms
      |    1
Warning: Label 777 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2652:3:
 2652 | 444     Continue
      |   1
Warning: Label 444 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2504:3:
 2504 |  20    Continue
      |   1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2281:3:
 2281 |  10         Continue
      |   1
Warning: Label 10 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:2284:2:
 2284 |  5       Continue
      |  1
Warning: Label 5 at (1) defined but not used [-Wunused-label]
../src/model_hessian.f90:1819:17:
 1819 |    real(wp) :: es,expterm,erfterm
      |                 1
Warning: Unused variable ‘es’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1792:45:
 1792 |    real(wp),allocatable   :: hessian(:,:,:,:) ! molecular hessian of IES
      |                                             1
Warning: Unused variable ‘hessian’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1820:19:
 1820 |    real(wp) :: htmp,rxr(3,3)
      |                   1
Warning: Unused variable ‘htmp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1814:22:
 1814 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1818:21:
 1818 |    real(wp) :: lambda
      |                     1
Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1821:21:
 1821 |    real(wp) :: rcovij,rr
      |                     1
Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1821:24:
 1821 |    real(wp) :: rcovij,rr
      |                        1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1834:34:
 1834 |    real(wp),allocatable :: temp(:)
      |                                  1
Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1817:27:
 1817 |    real(wp) :: arg,arg2,tmp,dtmp
      |                           1
Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1590:21:
 1590 |    real(wp) :: rij(3),rij1,brij(3,2)
      |                     1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1591:21:
 1591 |    real(wp) :: rjk(3),rjk1,brjk(3,2)
      |                     1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1592:21:
 1592 |    real(wp) :: rkl(3),rkl1,brkl(3,2)
      |                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1325:19:
 1325 |    real(wp) :: beta,tij,tau
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1194:19:
 1194 |    real(wp) :: beta,tij,tau,dum(3,4,3,4)
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:1193:35:
 1193 |    real(wp) :: cosfi2,cosfi3,cosfi4
      |                                   1
Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:979:20:
  979 |    real(wp) :: alpha
      |                    1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:593:19:
  593 |    real(wp) :: beta,tij,tau
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:19:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                   1
Warning: Unused variable ‘ir’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:24:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                        1
Warning: Unused variable ‘jr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:29:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                             1
Warning: Unused variable ‘kr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:587:34:
  587 |    integer  :: i,ir,j,jr,k,kr,l,lr,ic,jc
      |                                  1
Warning: Unused variable ‘lr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:469:30:
  469 |    real(wp) :: rij(3),rij0,aij,rij2,d0ij,gij
      |                              1
Warning: Unused variable ‘aij’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:470:30:
  470 |    real(wp) :: rjk(3),rjk0,ajk,rjk2,d0jk,gjk
      |                              1
Warning: Unused variable ‘ajk’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:471:30:
  471 |    real(wp) :: rkl(3),rkl0,akl,rkl2,d0kl,gkl
      |                              1
Warning: Unused variable ‘akl’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:473:19:
  473 |    real(wp) :: beta,tij,tau
      |                   1
Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:472:35:
  472 |    real(wp) :: cosfi2,cosfi3,cosfi4
      |                                   1
Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:264:20:
  264 |    real(wp) :: alpha
      |                    1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:3155:38:
 3155 |       subroutine getqqxy(dx,dy,qq,c6,r,r2,r3,rpa,r02,d2)
      |                                      1
Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument]
../src/model_hessian.f90:2135:21:
 2135 |       real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), &
      |                     1
Warning: Unused variable ‘alphavdw’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2135:27:
 2135 |       real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), &
      |                           1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2136:24:
 2136 |      &   vdw(3,3), dr(3)
      |                        1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2137:18:
 2137 |       integer kxyz, lxyz
      |                  1
Warning: Unused variable ‘kxyz’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90:2137:24:
 2137 |       integer kxyz, lxyz
      |                        1
Warning: Unused variable ‘lxyz’ declared at (1) [-Wunused-variable]
../src/model_hessian.f90: In function ‘__xtb_modelhessian_MOD_mh_swart’:
../src/model_hessian.f90:494:19: warning: ‘kl’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  494 |                if (ij.le.kl) cycle torsion_lAt
      |                   ^
../src/model_hessian.f90:464:34: note: ‘kl’ was declared here
  464 |    integer  :: i,j,k,l,ic,jc,ij,kl
      |                                  ^
[280/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o -c ../src/gfnff/gfnff_eg.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_eg.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_eg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_eg.f90:2759:13:
 2759 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2760:13:
 2760 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2761:13:
 2761 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2762:13:
 2762 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2763:12:
 2763 |          rn=tlist(5,i)
      |            1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2498:13:
 2498 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2499:13:
 2499 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2500:13:
 2500 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2501:13:
 2501 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2502:13:
 2502 |          rn =tlist(5,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2601:13:
 2601 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2190:13:
 2190 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2191:13:
 2191 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2192:13:
 2192 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2193:13:
 2193 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2194:13:
 2194 |          rn =tlist(5,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2205:13:
 2205 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2206:13:
 2206 |          jj =tlist(2,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2207:13:
 2207 |          kk =tlist(3,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2208:13:
 2208 |          ll =tlist(4,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:2337:13:
 2337 |          ii =tlist(1,i)
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:1285:12:
 1285 |          A4=A
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:1286:12:
 1286 |          x4=x
      |            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_eg.f90:683:68:
  683 |            write(*,'(10x,"No H-atom found in this bond ",i0,1x,i0)'), iat,jat
      |                                                                    1
Warning: Legacy Extension: Comma before i/o item list at (1)
../src/gfnff/gfnff_eg.f90:3160:38:
 3160 | pure elemental function create_erfCN(k,r,r0) result(count)
      |                                      1
Warning: Unused dummy argument ‘k’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:2880:43:
 2880 |       real*8 drax(3),drbx(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2883:18:
 2883 |       real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo
      |                  1
Warning: Unused variable ‘ex1_a’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2883:24:
 2883 |       real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo
      |                        1
Warning: Unused variable ‘ex2_a’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2887:16:
 2887 |       real*8 gqa,gqb,gqx
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2887:20:
 2887 |       real*8 gqa,gqb,gqx
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2887:24:
 2887 |       real*8 gqa,gqb,gqx
      |                        1
Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2890:15:
 2890 |       integer i,j
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2890:17:
 2890 |       integer i,j
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2885:15:
 2885 |       real*8 qa,qb,qx
      |               1
Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2879:44:
 2879 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                            1
Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2879:49:
 2879 |       real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4
      |                                                 1
Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2630:23:
 2630 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2649:18:
 2649 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2644:47:
 2644 |       real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3)
      |                                               1
Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2643:35:
 2643 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                   1
Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2643:58:
 2643 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                                          1
Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2642:43:
 2642 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2654:17:
 2654 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2653:70:
 2653 |       real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B))
      |                                                                      1
Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2650:36:
 2650 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2645:51:
 2645 |       real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B))
      |                                                   1
Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2658:16:
 2658 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2658:20:
 2658 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2658:24:
 2658 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2665:36:
 2665 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2655:31:
 2655 |       real*8 aterm,dterm,nbterm
      |                               1
Warning: Unused variable ‘nbterm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2661:35:
 2661 |       real*8 outl_nb(topo%nb(20,B)),outl_nb_tot
      |                                   1
Warning: Unused variable ‘outl_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2661:47:
 2661 |       real*8 outl_nb(topo%nb(20,B)),outl_nb_tot
      |                                               1
Warning: Unused variable ‘outl_nb_tot’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2640:44:
 2640 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:32:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                1
Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:53:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                     1
Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2652:45:
 2652 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2649:24:
 2649 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2638:51:
 2638 |       real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3
      |                                                   1
Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2640:49:
 2640 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:73:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                         1
Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2641:94:
 2641 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                                              1
Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2651:37:
 2651 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2639:15:
 2639 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2639:18:
 2639 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2639:21:
 2639 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2369:23:
 2369 |       integer A,B,H,C,D,n,at(n)
      |                       1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2388:18:
 2388 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2383:47:
 2383 |       real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3)
      |                                               1
Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2382:35:
 2382 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                   1
Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2382:58:
 2382 |       real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B))
      |                                                          1
Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2381:43:
 2381 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2393:17:
 2393 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2392:70:
 2392 |       real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B))
      |                                                                      1
Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2389:36:
 2389 |       real*8 gi,gi_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2384:51:
 2384 |       real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B))
      |                                                   1
Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:16:
 2397 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:20:
 2397 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2397:24:
 2397 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2403:36:
 2403 |       logical mask_nb(topo%nb(20,B))
      |                                    1
Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2379:44:
 2379 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:32:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                1
Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:53:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                     1
Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2391:45:
 2391 |       real*8 rahprbh,ranbprbnb(topo%nb(20,B))
      |                                             1
Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2388:24:
 2388 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2377:51:
 2377 |       real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3
      |                                                   1
Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2379:49:
 2379 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:73:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                         1
Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2380:94:
 2380 |       real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B))
      |                                                                                              1
Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2390:37:
 2390 |       real*8 tmp1,tmp2(topo%nb(20,B))
      |                                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2378:15:
 2378 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2378:18:
 2378 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2378:21:
 2378 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2075:17:
 2075 |       integer C,D
      |                 1
Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2046:43:
 2046 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2058:17:
 2058 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:16:
 2062 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:20:
 2062 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2062:24:
 2062 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2044:44:
 2044 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2053:18:
 2053 |       real*8 ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2044:49:
 2044 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2043:15:
 2043 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2043:18:
 2043 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2043:21:
 2043 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1751:18:
 1751 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1747:43:
 1747 |       real*8 drah(3),drbh(3),drab(3),drm(3),dralp(3),drblp(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1756:17:
 1756 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1760:16:
 1760 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1760:20:
 1760 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1760:24:
 1760 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1745:44:
 1745 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1751:24:
 1751 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1745:49:
 1745 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1744:15:
 1744 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1744:18:
 1744 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1744:21:
 1744 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1517:18:
 1517 |       real*8 denom,ratio,qhoutl,radab
      |                  1
Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1513:43:
 1513 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1522:17:
 1522 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1526:16:
 1526 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1526:20:
 1526 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1526:24:
 1526 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1511:44:
 1511 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                            1
Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1517:24:
 1517 |       real*8 denom,ratio,qhoutl,radab
      |                        1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1511:49:
 1511 |       real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4
      |                                                 1
Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1510:15:
 1510 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1510:18:
 1510 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1510:21:
 1510 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1347:43:
 1347 |       real*8 drah(3),drbh(3),drab(3),drm(3)
      |                                           1
Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1353:17:
 1353 |       real*8 eabh
      |                 1
Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1357:16:
 1357 |       real*8 gqa,gqb,gqh
      |                1
Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1357:20:
 1357 |       real*8 gqa,gqb,gqh
      |                    1
Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1357:24:
 1357 |       real*8 gqa,gqb,gqh
      |                        1
Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1350:27:
 1350 |       real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh
      |                           1
Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1345:15:
 1345 |       real*8 xm,ym,zm
      |               1
Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1345:18:
 1345 |       real*8 xm,ym,zm
      |                  1
Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1345:21:
 1345 |       real*8 xm,ym,zm
      |                     1
Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1228:36:
 1228 |       real(wp) :: gammij,tsqrt2pi,r2,tmp
      |                                    1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:16:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:44:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                            1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1119:28:
 1119 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1119:20:
 1119 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:27:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                           1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:27:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                           1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:35:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                   1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:53:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                                     1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:16:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1116:37:
 1116 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:19:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                   1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:21:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                     1
Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1118:19:
 1118 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1113:36:
 1113 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                    1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1114:18:
 1114 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1118:28:
 1118 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1117:45:
 1117 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:47:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                               1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1112:41:
 1112 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                         1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1113:53:
 1113 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:19:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                   1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:27:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                           1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:33:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                 1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1111:39:
 1111 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                       1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:32:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1115:38:
 1115 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                      1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1056:59:
 1056 |       subroutine egtors_nci_mul(i,j,k,l,rn,phi0,tshift,n,at,xyz,e,g)
      |                                                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:1066:16:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:47:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                                               1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:23:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:38:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:53:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1074:28:
 1074 |       real*8  dampjl,damp2jl,valijklff
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:51:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                                   1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:30:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:45:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1074:20:
 1074 |       real*8  dampjl,damp2jl,valijklff
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:43:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                                           1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:27:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                           1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:27:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                           1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:35:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                   1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:53:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                                     1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:16:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1071:37:
 1071 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:19:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                   1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:24:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                        1
Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:19:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:36:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                    1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1069:18:
 1069 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1073:28:
 1073 |       real*8  omega,rij,rijk,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1072:45:
 1072 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:47:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                               1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1067:41:
 1067 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                         1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:53:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:22:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                      1
Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1068:31:
 1068 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                               1
Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1071:22:
 1071 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:19:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                   1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:30:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                              1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:36:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                                    1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1066:42:
 1066 |       real*8  c0,fc,kijk,va(3),vb(3),vc(3),cosa
      |                                          1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:32:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:1070:38:
 1070 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                      1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:16:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                1
Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:44:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                            1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:27:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                           1
Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:27:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                           1
Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:35:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                   1
Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:53:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                                     1
Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:16:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                1
Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:983:37:
  983 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:19:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                   1
Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:21:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                     1
Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:980:36:
  980 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                    1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:981:18:
  981 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                  1
Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:985:28:
  985 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:47:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                               1
Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:979:41:
  979 |       real*8  dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt
      |                                         1
Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:980:53:
  980 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                                                     1
Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:19:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                   1
Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:27:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                           1
Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:33:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                 1
Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:978:39:
  978 |       real*8  c0,kijk,va(3),vb(3),vc(3),cosa
      |                                       1
Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:32:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:982:38:
  982 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                      1
Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:919:48:
  919 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                                1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:28:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:56:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:20:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:48:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:41:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                         1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:34:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                  1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:27:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                           1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:20:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                    1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:919:45:
  919 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                             1
Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:43:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:37:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:919:41:
  919 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                         1
Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:19:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:49:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                                 1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:33:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:23:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:28:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:41:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:921:45:
  921 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:922:37:
  922 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:41:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:22:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:923:38:
  923 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:50:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:34:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:920:28:
  920 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:847:48:
  847 |       subroutine egbend_nci_mul(j,i,k,c0,fc,n,at,xyz,e,g)
      |                                                1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:860:48:
  860 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                                1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:23:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                       1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:38:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                      1
Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:53:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                                     1
Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:28:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:56:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:30:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                              1
Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:859:45:
  859 |       real*8  rcb2,damp,dampij,damp2ij,dampjk,damp2jk
      |                                             1
Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:20:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:48:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:41:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                         1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:34:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                  1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:27:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                           1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:20:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                    1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:860:45:
  860 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                             1
Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:43:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:37:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:860:41:
  860 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                         1
Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:19:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:49:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                                 1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:33:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:23:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:28:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:41:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:862:45:
  862 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:863:37:
  863 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:41:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:858:22:
  858 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                      1
Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:858:31:
  858 |       real*8  term1(3),term2(3),rab2,vab(3),vcb(3),rp
      |                               1
Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:22:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:864:38:
  864 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:50:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:34:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:861:28:
  861 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:795:48:
  795 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                                1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:28:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                            1
Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:56:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                        1
Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:20:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                    1
Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:48:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                                1
Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:41:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                         1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:34:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                  1
Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:27:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                           1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:20:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                    1
Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:795:45:
  795 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                             1
Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:43:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                           1
Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:37:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                     1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:795:41:
  795 |       real*8  theta,deda(3),vlen,vp(3),et,dij,c1
      |                                         1
Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:19:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:49:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                                 1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:33:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                 1
Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:23:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:28:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                            1
Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:41:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                         1
Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:797:45:
  797 |       real*8  ddd(3),ddc(3),ddb(3),dda(3),rjl,phi
      |                                             1
Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:798:37:
  798 |       real*8  omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl
      |                                     1
Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:41:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                         1
Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:22:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                      1
Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:799:38:
  799 |       real*8  dampjl,damp2jl,valijklff,rn
      |                                      1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:50:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                                  1
Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:34:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                                  1
Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:796:28:
  796 |       real*8  term3(3),x1sin,x1cos,e1,dphi1,vdc(3)
      |                            1
Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:738:24:
  738 |       real(wp) :: cn_thr
      |                        1
Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:743:23:
  743 |       integer  :: iA,jA,jH
      |                       1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:743:26:
  743 |       integer  :: iA,jA,jH
      |                          1
Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:741:21:
  741 |       integer  :: lin,linAH
      |                     1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:741:27:
  741 |       integer  :: lin,linAH
      |                           1
Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:599:51:
  599 |       subroutine egbond(i,iat,jat,rab,rij,drij,n,at,xyz,e,g,topo)
      |                                                   1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:615:15:
  615 |       integer j,k
      |               1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:98:49:
   98 |       real*8  repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28
      |                                                 1
Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:37:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                                     1
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:95:16:
   95 |       logical ex
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:93:17:
   93 |       integer hbA,hbB
      |                 1
Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:93:21:
   93 |       integer hbA,hbB
      |                     1
Warning: Unused variable ‘hbb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:94:17:
   94 |       integer lin
      |                 1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:61:50:
   61 |    subroutine gfnff_eg(env,pr,n,ichrg,at,xyz,makeq,g,etot,res_gff, &
      |                                                  1
Warning: Unused dummy argument ‘makeq’ at (1) [-Wunused-dummy-argument]
../src/gfnff/gfnff_eg.f90:100:19:
  100 |       real*8  omega,rn,dr,g3tmp(3,3),g4tmp(3,4)
      |                   1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:99:36:
   99 |       real*8  gammij,eesinf,etmp,phi,valijklff
      |                                    1
Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:24:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                        1
Warning: Unused variable ‘qq0’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:97:44:
   97 |       real*8  dx,dy,dz,yy,t4,t5,t6,alpha,t20
      |                                            1
Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:54:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                                                      1
Warning: Unused variable ‘t22’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:98:56:
   98 |       real*8  repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28
      |                                                        1
Warning: Unused variable ‘t28’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:96:58:
   96 |       real*8  r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39
      |                                                          1
Warning: Unused variable ‘t39’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:99:46:
   99 |       real*8  gammij,eesinf,etmp,phi,valijklff
      |                                              1
Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_eg.f90:2364:27:
 2364 | subroutine abhgfnff_eg3_mul(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo)
      |                           ^
Warning: ‘abhgfnff_eg3_mul’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:2625:27:
 2625 | subroutine abhgfnff_eg3_add(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo)
      |                           ^
Warning: ‘abhgfnff_eg3_add’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3160:0:
 3160 | pure elemental function create_erfCN(k,r,r0) result(count)
      | 
Warning: ‘create_erfcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3183:0:
 3183 | pure elemental function create_expCN(k,r,r0) result(count)
      | 
Warning: ‘create_expcn’ defined but not used [-Wunused-function]
../src/gfnff/gfnff_eg.f90:3191:0:
 3191 | pure elemental function create_dexpCN(k,r,r0) result(count)
      | 
Warning: ‘create_dexpcn’ defined but not used [-Wunused-function]
[281/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_model.f90.o -c ../src/solv/model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/solv/model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/solv/model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/solv/model.f90:179:19:
  179 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[282/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[283/541] true
[284/541] true
[285/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_freq_project.f90.o -c ../src/freq/project.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/freq/project.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/freq/project.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[286/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_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]
[287/541] true
[288/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_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
[289/541] true
[290/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_genformat.f90.o -c ../src/io/reader/genformat.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/genformat.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/genformat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/genformat.f90:160:41:
  160 |    integer :: error, ndim, ii, jj, jbatch, iline
      |                                         1
Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable]
../src/io/reader/genformat.f90:158:40:
  158 |    character(len=:), allocatable :: line
      |                                        1
Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable]
../src/io/reader/genformat.f90: In function ‘__xtb_io_reader_genformat_MOD_readhessiandftbplus’:
../src/io/reader/genformat.f90:165:7: warning: ‘error’ is used uninitialized in this function [-Wuninitialized]
  165 |    if (error /= 0) then
      |       ^
[291/541] true
[292/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_pdb.f90.o -c ../src/io/reader/pdb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/pdb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/pdb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[293/541] true
[294/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_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
[295/541] true
[296/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[297/541] true
[298/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_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]
[299/541] true
[300/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_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
[301/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_genformat.f90.o -c ../src/io/writer/genformat.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/genformat.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/genformat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[302/541] true
[303/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_pdb.f90.o -c ../src/io/writer/pdb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/pdb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/pdb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[304/541] true
[305/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_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
[306/541] true
[307/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_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
[308/541] true
[309/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_turbomole.f90.o -c ../src/io/writer/turbomole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/writer/turbomole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/writer/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/writer/turbomole.f90: In function ‘__xtb_io_writer_turbomole_MOD_writenormalmodesturbomole’:
../src/io/writer/turbomole.f90:177:18: warning: ‘h.offset’ is used uninitialized in this function [-Wuninitialized]
  177 |    h = normalModes
      |                  ^
../src/io/writer/turbomole.f90:177:18: warning: ‘h.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/io/writer/turbomole.f90:177:18: warning: ‘h.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/io/writer/turbomole.f90:177:18: warning: ‘h.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/io/writer/turbomole.f90:177:18: warning: ‘h.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[310/541] true
[311/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[312/541] true
[313/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_identitymap.f90.o -c ../src/type/identitymap.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/identitymap.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/identitymap.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[314/541] true
[315/541] true
[316/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_calculator.f90.o -c ../src/type/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[317/541] true
[318/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[319/541] true
[320/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[321/541] true
[322/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_repulsion.f90.o -c ../src/xtb/repulsion.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/repulsion.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/repulsion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/repulsion.f90:148:41:
  148 |    real(wp) :: alpha, zeff, kExp, cutoff2
      |                                         1
Warning: Unused variable ‘cutoff2’ declared at (1) [-Wunused-variable]
[323/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[324/541] true
[325/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[326/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_coordinationnumber.f90.o -c ../src/disp/coordinationnumber.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/coordinationnumber.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[327/541] true
[328/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_detrotra.f90.o -c ../src/detrotra.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/detrotra.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/detrotra.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[329/541] true
[330/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_anc.f90.o -c ../src/type/anc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/anc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/anc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/anc.f90:361:18:
  361 |    real(wp) :: dum
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:17:
  359 |    integer :: m,i,j,k
      |                 1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:19:
  359 |    integer :: m,i,j,k
      |                   1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:21:
  359 |    integer :: m,i,j,k
      |                     1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:359:15:
  359 |    integer :: m,i,j,k
      |               1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/type/anc.f90:225:30:
  225 | subroutine generate_anc_packed(self,xyz,hess,pr)
      |                              ^
Warning: ‘generate_anc_packed’ defined but not used [-Wunused-function]
[331/541] true
[332/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_generate_wsc.f90.o -c ../src/generate_wsc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/generate_wsc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/generate_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/generate_wsc.f90:32:24:
   32 |    integer  :: ii,jj,ich
      |                        1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
[333/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[334/541] true
[335/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_iniq.f90.o -c ../src/iniq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/iniq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/iniq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/iniq.f90:264:35:
  264 | pure subroutine iniqcn_gfn2(nat,nel,at,z,xyz,chrg,q,cn)
      |                                   1
Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument]
../src/iniq.f90:195:35:
  195 | pure subroutine iniqcn_gfn1(nat,nel,at,z,xyz,chrg,kchrg1,q,cn)
      |                                   1
Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument]
../src/iniq.f90:128:34:
  128 | pure subroutine iniqcn_vtb(nat,nel,at,z,xyz,chrg,q,cn)
      |                                  1
Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument]
[336/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_coulomb_gaussian.f90.o -c ../src/coulomb/gaussian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/coulomb/gaussian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/coulomb/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/coulomb/gaussian.f90:145:21:
  145 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
[337/541] true
[338/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[339/541] true
[340/541] true
[341/541] true
[342/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_eeq_model.f90.o -c ../src/eeq_model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/eeq_model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/eeq_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/eeq_model.f90:1064:18:
 1064 |    real(wp) :: arg,tmp,dtmp
      |                  1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1073:17:
 1073 |    real(wp) :: cf ! convergence factor
      |                 1
Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1054:41:
 1054 |    real(wp),allocatable :: dAmatdL(:,:,:)
      |                                         1
Warning: Unused variable ‘damatdl’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:36:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                                    1
Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1064:27:
 1064 |    real(wp) :: arg,tmp,dtmp
      |                           1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1056:41:
 1056 |    real(wp),allocatable :: dXvecdL(:,:,:)
      |                                         1
Warning: Unused variable ‘dxvecdl’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1097:35:
 1097 |    real(wp) :: gborn, ghb, r3, erft
      |                                   1
Warning: Unused variable ‘erft’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:20:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                    1
Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1063:20:
 1063 |    real(wp) :: gamij,gamij2
      |                    1
Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1063:27:
 1063 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1061:20:
 1061 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1061:22:
 1061 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1062:16:
 1062 |    real(wp) :: r,rij(3),r2
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1062:26:
 1062 |    real(wp) :: r,rij(3),r2
      |                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1097:29:
 1097 |    real(wp) :: gborn, ghb, r3, erft
      |                             1
Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1075:36:
 1075 |    integer              :: rep_cn(3)
      |                                    1
Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1062:23:
 1062 |    real(wp) :: r,rij(3),r2
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:27:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                           1
Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1072:46:
 1072 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3)
      |                                              1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:1071:20:
 1071 |    integer  :: wscAt
      |                    1
Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:732:18:
  732 |    real(wp) :: arg,tmp,dtmp
      |                  1
Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:36:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                                    1
Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:732:27:
  732 |    real(wp) :: arg,tmp,dtmp
      |                           1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:20:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                    1
Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:731:20:
  731 |    real(wp) :: gamij,gamij2
      |                    1
Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:731:27:
  731 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:729:20:
  729 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:729:22:
  729 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:730:16:
  730 |    real(wp) :: r,rij(3),r2
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:730:26:
  730 |    real(wp) :: r,rij(3),r2
      |                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:730:23:
  730 |    real(wp) :: r,rij(3),r2
      |                       1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:27:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                           1
Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:740:46:
  740 |    real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3)
      |                                              1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:739:20:
  739 |    integer  :: wscAt
      |                    1
Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:380:27:
  380 |    real(wp) :: gamij,gamij2
      |                           1
Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:378:20:
  378 |    integer  :: i,j,k,l
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:378:22:
  378 |    integer  :: i,j,k,l
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:272:17:
  272 |    integer  :: dx,dy,dz,i,itr
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:272:20:
  272 |    integer  :: dx,dy,dz,i,itr
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:272:23:
  272 |    integer  :: dx,dy,dz,i,itr
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:274:19:
  274 |    real(wp) :: t(3),dtmp,stmp(3)
      |                   1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:242:17:
  242 |    integer  :: dx,dy,dz,itr
      |                 1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:242:20:
  242 |    integer  :: dx,dy,dz,itr
      |                    1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:242:23:
  242 |    integer  :: dx,dy,dz,itr
      |                       1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:244:19:
  244 |    real(wp) :: t(3)
      |                   1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:181:22:
  181 |    real(wp) :: gVec(3)
      |                      1
Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:17:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                 1
Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:22:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                      1
Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:27:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                           1
Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:180:32:
  180 |    integer :: iG1, iG2, iG3, iRp
      |                                1
Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:94:44:
   94 |    real(wp) :: gamii, gamij, riw(3), gVec(3)
      |                                            1
Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:34:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                  1
Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:39:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                       1
Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:44:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                            1
Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable]
../src/eeq_model.f90:93:49:
   93 |    integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp
      |                                                 1
Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable]
[343/541] true
[344/541] true
[345/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_pseudodiag.f90.o -c ../src/pseudodiag.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/pseudodiag.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/pseudodiag.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/pseudodiag.f90:91:37:
   91 |             alphaarr(i_occ,i_virt) = sqrt(0.5d0*(1.d0+d/e))
      |                                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/pseudodiag.f90:92:36:
   92 |             betaarr(i_occ,i_virt) = -sign(sqrt(1.d0-alphaarr(i_occ,i_virt)*alphaarr(i_occ,i_virt)),c)
      |                                    1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/pseudodiag.f90:50:14:
   50 |     real*8:: b
      |              1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:48:20:
   48 |     integer :: bound
      |                    1
Warning: Unused variable ‘bound’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:44:36:
   44 |     integer:: blocksize, batch, dest, nproc
      |                                    1
Warning: Unused variable ‘dest’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:57:46:
   57 |     integer, allocatable, save :: indizes(:,:)
      |                                              1
Warning: Unused variable ‘indizes’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:41:15:
   41 |     integer:: j
      |               1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:43:42:
   43 |     integer:: aux_occ,aux_virt, loop_count
      |                                          1
Warning: Unused variable ‘loop_count’ declared at (1) [-Wunused-variable]
../src/pseudodiag.f90:42:15:
   42 |     integer:: m
      |               1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
[346/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[347/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_readl2.f90.o -c ../src/readl2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/readl2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/readl2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/readl2.f90:74:12:
   74 |    integer i,e,ty
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
[348/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[349/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[350/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_rmsd.f90.o -c ../src/rmsd.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/rmsd.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/rmsd.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/rmsd.f90:64:32:
   64 |    character*80 atmp1,atmp2,atmp
      |                                1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/rmsd.f90:68:17:
   68 |    integer n,idum
      |                 1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
[351/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_restart.f90.o -c ../src/restart.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/restart.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/restart.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/restart.f90:174:32:
  174 | subroutine write_restart_gff(env,fname,nat,version,topo)
      |                                1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/restart.f90:153:27:
  153 | subroutine writeRestart(env,wfx,fname,gfn_method)
      |                           1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/restart.f90:105:19:
  105 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/restart.f90:32:41:
   32 | subroutine readRestart(env,wfx,fname,n,at,gfn_method,success,verbose)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/restart.f90:46:19:
   46 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[352/541] true
[353/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd4.f90.o -c ../src/disp/dftd4.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/disp/dftd4.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/disp/dftd4.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/disp/dftd4.f90:1880:72:
 1880 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                                        1
Warning: Unused variable ‘dedq’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1880:53:
 1880 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                     1
Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1694:53:
 1694 |    real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:)
      |                                                     1
Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:1459:60:
 1459 |    integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik
      |                                                            1
Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:823:31:
  823 |    real(wp) :: twf,norm,aiw(23)
      |                               1
Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:811:42:
  811 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6)
      |                                          1
Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:811:46:
  811 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6)
      |                                              1
Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:821:26:
  821 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                          1
Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:821:22:
  821 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                      1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:780:19:
  780 |    real(wp) :: qmod,iz
      |                   1
Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:726:19:
  726 |    real(wp) :: qmod,iz
      |                   1
Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:661:32:
  661 |    real(wp) :: c8abns,c10abns,r2,cutoff,oor6,oor8,oor10,r,gwgw,r4r2ij
      |                                1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:591:31:
  591 |    real(wp) :: twf,norm,aiw(23)
      |                               1
Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:578:38:
  578 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns)
      |                                      1
Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:578:42:
  578 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns)
      |                                          1
Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:589:26:
  589 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                          1
Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:589:22:
  589 |    integer  :: i,ia,is,icn,ii,iii,j,jj,ja,k,l
      |                      1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:382:30:
  382 |    real(wp)            :: tmp1, tmp2
      |                              1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:382:36:
  382 |    real(wp)            :: tmp1, tmp2
      |                                    1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:277:21:
  277 |       &     gw,c6abns,molc6,molc8,molpol,aout,cout,rout,vout)
      |                     1
Warning: Unused dummy argument ‘c6abns’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:295:27:
  295 |    integer  :: i,ii,ia,j,jj,ja,k,l
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:295:34:
  295 |    integer  :: i,ii,ia,j,jj,ja,k,l
      |                                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:297:19:
  297 |    real(wp) :: qmod,oth,iz
      |                   1
Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:276:40:
  276 | subroutine mdisp(dispm,nat,ndim,at,q,xyz,g_a,g_c, &
      |                                        1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/disp/dftd4.f90:61:28:
   61 |    integer  :: cncount(0:18)
      |                            1
Warning: Unused variable ‘cncount’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:60:26:
   60 |    integer  :: i,ia,is,icn,j,ja,ii,jj,ij
      |                          1
Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:60:40:
   60 |    integer  :: i,ia,is,icn,j,ja,ii,jj,ij
      |                                        1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/disp/dftd4.f90:60:31:
   60 |    integer  :: i,ia,is,icn,j,ja,ii,jj,ij
      |                               1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
[354/541] true
[355/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[356/541] true
[357/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[358/541] true
[359/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[360/541] true
[361/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[362/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_gfn2.f90.o -c ../src/xtb/gfn2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/gfn2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/gfn2.f90:878:27:
  878 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:818:17:
  818 |    integer :: iZp, iSh, jSh
      |                 1
Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:817:33:
  817 |    integer :: mShell, nPrim, lAng
      |                                 1
Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:817:27:
  817 |    integer :: mShell, nPrim, lAng
      |                           1
Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable]
../src/xtb/gfn2.f90:819:27:
  819 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
[363/541] true
[364/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_json.f90.o -c ../src/main/json.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/json.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/json.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/json.f90:58:16:
   58 |       (ijson,mol,wfx,xbas,sccres,freqres)
      |                1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/main/json.f90:58:25:
   58 |       (ijson,mol,wfx,xbas,sccres,freqres)
      |                         1
Warning: Unused dummy argument ‘xbas’ at (1) [-Wunused-dummy-argument]
[365/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[366/541] true
[367/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[368/541] true
[369/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_getname.f90.o -c ../src/getname.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/getname.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/getname.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[370/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_gfn0.f90.o -c ../src/xtb/gfn0.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/gfn0.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/gfn0.f90:792:22:
  792 |    integer :: iZp, iSh
      |                      1
Warning: Unused variable ‘ish’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:792:17:
  792 |    integer :: iZp, iSh
      |                 1
Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:791:33:
  791 |    integer :: mShell, nPrim, lAng
      |                                 1
Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:791:27:
  791 |    integer :: mShell, nPrim, lAng
      |                           1
Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:793:27:
  793 |    logical :: valShell(0:3)
      |                           1
Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable]
../src/xtb/gfn0.f90:767:35:
  767 | subroutine initCoulomb(self, nShell)
      |                                   1
Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument]
[371/541] true
[372/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[373/541] true
[374/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[375/541] true
[376/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[377/541] true
[378/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfn_paramset.f90.o -c ../src/gfn_paramset.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfn_paramset.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfn_paramset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfn_paramset.f90:60:7:
   60 |    use xtb_aoparam, only : kpair
      |       1
Warning: Unused module variable ‘kpair’ which has been explicitly imported at (1) [-Wunused-variable]
../src/gfn_paramset.f90:47:42:
   47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData)
      |                                          1
Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:47:34:
   47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData)
      |                                  1
Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:47:50:
   47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData)
      |                                                  1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:37:42:
   37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData)
      |                                          1
Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:37:34:
   37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData)
      |                                  1
Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:37:50:
   37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData)
      |                                                  1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:28:42:
   28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData)
      |                                          1
Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:28:34:
   28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData)
      |                                  1
Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument]
../src/gfn_paramset.f90:28:50:
   28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData)
      |                                                  1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
[379/541] true
[380/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_qpot.f90.o -c ../src/qpot.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/qpot.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/qpot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/qpot.f90:202:48:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                                                1
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/qpot.f90:200:13:
  200 |    logical da
      |             1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:27:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                           1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/qpot.f90:201:18:
  201 |    integer iat,i,j,k,nn,ni
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qpot.f90:201:26:
  201 |    integer iat,i,j,k,nn,ni
      |                          1
Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable]
../src/qpot.f90:201:23:
  201 |    integer iat,i,j,k,nn,ni
      |                       1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:45:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                                             1
Warning: Unused variable ‘pi’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:33:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                                 1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/qpot.f90:202:30:
  202 |    real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1
      |                              1
Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable]
../src/qpot.f90:136:18:
  136 |    integer i,j,k,l,n
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/qpot.f90:28:26:
   28 |    character(80) fname,a80
      |                          1
Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable]
../src/qpot.f90:26:33:
   26 |    integer i,j,k,nread,at(natoms)
      |                                 1
Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable]
../src/qpot.f90:29:13:
   29 |    logical ex
      |             1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/qpot.f90:28:22:
   28 |    character(80) fname,a80
      |                      1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/qpot.f90:18:29:
   18 | subroutine qpotini(natoms,iat,xyz)
      |                             1
Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument]
../src/qpot.f90:26:22:
   26 |    integer i,j,k,nread,at(natoms)
      |                      1
Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable]
../src/qpot.f90:27:26:
   27 |    real(wp) xyzf(3,natoms),rij(3)
      |                          1
Warning: Unused variable ‘xyzf’ declared at (1) [-Wunused-variable]
../src/qpot.f90:57:17:
   57 |    integer n,nn,j,nat,k,nfix
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/qpot.f90:57:23:
   57 |    integer n,nn,j,nat,k,nfix
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/qpot.f90:88:30:
   88 | subroutine rdfix(nat,n,xyz,iat,fname,fixed)
      |                              1
Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument]
[381/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[382/541] true
[383/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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.f90:93:44: warning: ‘jmin’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   93 |                   conslistu(2,nconsu) = jmin
      |                                            ^
[384/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[385/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_extern_mopac.f90.o -c ../src/extern/mopac.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/extern/mopac.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/extern/mopac.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/extern/mopac.f90:164:27:
  164 |    real(wp) :: dum(10),edum
      |                           1
Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable]
../src/extern/mopac.f90:43:15:
   43 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
[386/541] true
[387/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[388/541] true
[389/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_xyz.f90.o -c ../src/io/reader/xyz.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/xyz.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/xyz.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/xyz.f90:48:42:
   48 |    character(len=:),allocatable :: message
      |                                          1
Warning: Unused variable ‘message’ declared at (1) [-Wunused-variable]
[390/541] true
[391/541] true
[392/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[393/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_turbomole.f90.o -c ../src/io/reader/turbomole.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/io/reader/turbomole.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/io/reader/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/io/reader/turbomole.f90: In function ‘__xtb_io_reader_turbomole_MOD_readmoleculecoord’:
../src/io/reader/turbomole.f90:193:10: warning: ‘cell_vectors’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  193 |       if (cell_vectors /= periodic) then
      |          ^
../src/io/reader/turbomole.f90:114:31: warning: ‘.lattice_string’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  114 |             lattice_string = ''
      |                               ^
[394/541] true
[395/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[396/541] true
[397/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[398/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_metadynamic.f90.o -c ../src/metadynamic.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/metadynamic.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/metadynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/metadynamic.f90:113:41:
  113 | subroutine set_metadynamic(metavar,nat,at,xyz)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/metadynamic.f90:91:46:
   91 | subroutine load_metadynamic(metavar,nat,at,xyz)
      |                                              1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/metadynamic.f90:21:37:
   21 | subroutine metadynamic(metavar,nat,at,xyz,ebias,g)
      |                                     1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/metadynamic.f90:36:18:
   36 |    integer  :: i,j,k,iref,iat
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/metadynamic.f90:36:20:
   36 |    integer  :: i,j,k,iref,iat
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[399/541] true
[400/541] true
[401/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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.f90:66:11: warning: ‘zsave’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   66 |    ez=zsave
      |           ^
../src/shiftlp.f90:65:11: warning: ‘ysave’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   65 |    ey=ysave
      |           ^
../src/shiftlp.f90:64:11: warning: ‘xsave’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   64 |    ex=xsave
      |           ^
[402/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_single.f90.o -c ../src/single.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/single.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/single.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/single.f90:44:50:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                                                  1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/single.f90:44:16:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/single.f90:44:46:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                                              1
Warning: Unused dummy argument ‘lgrad’ at (1) [-Wunused-dummy-argument]
../src/single.f90:44:24:
   44 |       &  egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res)
      |                        1
Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument]
../src/single.f90:49:24:
   49 |    type(tb_pcem) :: pcem
      |                        1
Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable]
[403/541] true
[404/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_slater.f90.o -c ../src/slater.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/slater.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/slater.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[405/541] true
[406/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_basisset.f90.o -c ../src/xtb/basisset.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/basisset.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/basisset.f90:322:12:
  322 |    integer i,j,k,l
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:322:14:
  322 |    integer i,j,k,l
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:322:16:
  322 |    integer i,j,k,l
      |                1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:322:18:
  322 |    integer i,j,k,l
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:40:19:
   40 |    integer  :: elem,valao
      |                   1
Warning: Unused variable ‘elem’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:41:16:
   41 |    integer  :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:34:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                  1
Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:37:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                     1
Warning: Unused variable ‘k2’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:41:78:
   41 |    integer  :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn
      |                                                                              1
Warning: Unused variable ‘npqr’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:47:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                               1
Warning: Unused variable ‘pp’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:41:82:
   41 |    integer  :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn
      |                                                                                  1
Warning: Unused variable ‘pqn’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:61:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                                             1
Warning: Unused variable ‘qi’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:44:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                            1
Warning: Unused variable ‘split1’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:58:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                                          1
Warning: Unused variable ‘zcnfr’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:42:52:
   42 |    real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level
      |                                                    1
Warning: Unused variable ‘zqfr’ declared at (1) [-Wunused-variable]
../src/xtb/basisset.f90:407:25:
  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.f90:450:25:
  450 | subroutine set_p_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao)
      |                         ^
Warning: ‘set_p_function’ defined but not used [-Wunused-function]
[407/541] true
[408/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_spline2.f90.o -c ../src/spline2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/spline2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/spline2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[409/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_scc_core.f90.o -c ../src/scc_core.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/scc_core.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/scc_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scc_core.f90:798:8:
  798 |    H4 = H
      |        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/scc_core.f90:799:8:
  799 |    S4 = S
      |        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/scc_core.f90:1406:23:
 1406 |    real(wp)  ntot,fracz
      |                       1
Warning: Unused variable ‘fracz’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1394:59:
 1394 | subroutine setzshell(xtbData,n,at,nshell,z,zsh,e,gfn_method)
      |                                                           1
Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1407:41:
 1407 |    integer i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                         1
Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1407:14:
 1407 |    integer i,j,k,m,l,ll(0:3),iat,lll,iver
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1407:36:
 1407 |    integer i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                    1
Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1360:59:
 1360 | subroutine iniqshell(xtbData,n,at,z,nshell,q,qsh,gfn_method)
      |                                                           1
Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1371:45:
 1371 |    integer  :: i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                             1
Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1371:18:
 1371 |    integer  :: i,j,k,m,l,ll(0:3),iat,lll,iver
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1371:40:
 1371 |    integer  :: i,j,k,m,l,ll(0:3),iat,lll,iver
      |                                        1
Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1341:17:
 1341 |    integer i,j,ii,jj,js,mmm(20)
      |                 1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1299:23:
 1299 |    integer i,j,ii,jj,ij
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1293:19:
 1293 | subroutine mpopsh(n,nao,nshell,ao2sh,S,P,qsh)
      |                   1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1267:23:
 1267 |    integer i,j,ii,jj,ij,is,js,mmm(20)
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1237:19:
 1237 | subroutine mpopao(n,nao,S,P,qao)
      |                   1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:1218:23:
 1218 |    integer i,j,ii,jj,ij,is,js
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1218:26:
 1218 |    integer i,j,ii,jj,ij,is,js
      |                          1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1218:29:
 1218 |    integer i,j,ii,jj,ij,is,js
      |                             1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1189:23:
 1189 |    integer i,j,ii,jj,ij,is,js
      |                       1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1189:26:
 1189 |    integer i,j,ii,jj,ij,is,js
      |                          1
Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1189:29:
 1189 |    integer i,j,ii,jj,ij,is,js
      |                             1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:1147:31:
 1147 | subroutine get_wiberg(n,ndim,at,xyz,P,S,wb,fila2)
      |                               1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:967:31:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                               1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:34:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                                  1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:24:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                        1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:28:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                            1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:967:26:
  967 |    integer :: ncycle,i,j,m,k,i1,i2
      |                          1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:871:36:
  871 | subroutine solve(full,ndim,ihomo,acc,H,S,X,P,e,fail)
      |                                    1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:883:12:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:42:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                          1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:14:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:46:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                              1
Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:883:39:
  883 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                       1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:20:
  886 |    real(wp) w0,w1,t0,t1
      |                    1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:23:
  886 |    real(wp) w0,w1,t0,t1
      |                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:14:
  886 |    real(wp) w0,w1,t0,t1
      |              1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:886:17:
  886 |    real(wp) w0,w1,t0,t1
      |                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:769:37:
  769 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail)
      |                                     1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:784:35:
  784 |    real(wp),allocatable :: aux  (:)
      |                                   1
Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:12:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:769:33:
  769 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail)
      |                                 1
Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:782:42:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                          1
Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:14:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:46:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                              1
Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:782:39:
  782 |    integer i,j,info,lwork,liwork,nfound,iu,nbf
      |                                       1
Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:20:
  785 |    real(wp) w0,w1,t0,t1
      |                    1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:23:
  785 |    real(wp) w0,w1,t0,t1
      |                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:14:
  785 |    real(wp) w0,w1,t0,t1
      |              1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:785:17:
  785 |    real(wp) w0,w1,t0,t1
      |                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:702:21:
  702 |    real(wp) :: rab,k1,rr,r,rf1,rf2,dx,dy,dz,a
      |                     1
Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:654:28:
  654 | pure subroutine electro(n,at,nbf,nshell,ies,H0,P,dq,dqsh,es,scc)
      |                            1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:667:18:
  667 |    real(wp) :: ehb ! not used
      |                  1
Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:670:18:
  670 |    real(wp) :: h,t
      |                  1
Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:22:
  368 |    real(wp) :: eh1,dum,tgb
      |                      1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:18:
  368 |    real(wp) :: eh1,dum,tgb
      |                  1
Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:19:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                   1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:366:21:
  366 |    integer  :: ishell,jshell
      |                     1
Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:24:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                        1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:366:28:
  366 |    integer  :: ishell,jshell
      |                            1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:29:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                             1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:31:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                               1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:365:33:
  365 |    integer  :: i,ii,j,jj,k,kk,l,m
      |                                 1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:241:23:
  241 |       &        minpr,pr, &
      |                       1
Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:231:33:
  231 |       &        q,dipm,qp,qq,qlmom,qsh,zsh, &
      |                                 1
Warning: Unused dummy argument ‘qlmom’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:367:17:
  367 |    real(wp) :: t8,t9
      |                 1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:367:20:
  367 |    real(wp) :: t8,t9
      |                    1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:368:26:
  368 |    real(wp) :: eh1,dum,tgb
      |                          1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:239:35:
  239 |       &        H0,H,S,dpint,qpint,X,P,ies, &
      |                                   1
Warning: Unused dummy argument ‘x’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:229:26:
  229 | subroutine scc(env,xtbData,solver,n,nel,nopen,ndim,ndp,nqp,nmat,nshell, &
      |                          1
Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:151:61:
  151 |                          H,S,dpint,qpint,vs,vd,vq,aoat2,ao2sh)
      |                                                             1
Warning: Unused dummy argument ‘ao2sh’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:150:32:
  150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,&
      |                                1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:176:21:
  176 |    integer  :: ishell,jshell
      |                     1
Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:176:28:
  176 |    integer  :: ishell,jshell
      |                            1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:175:23:
  175 |    integer  :: ii,jj,kk
      |                       1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:150:44:
  150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,&
      |                                            1
Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:177:25:
  177 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                         1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:177:28:
  177 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                            1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:177:32:
  177 |    real(wp) :: dum,eh1,t8,t9,tgb
      |                                1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:111:32:
  111 |       & H0, S, shellShift, aoat2, ao2sh)
      |                                1
Warning: Unused dummy argument ‘aoat2’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:110:33:
  110 | subroutine buildIsotropicH1(n, at, ndim, nshell, nmat, matlist, H, &
      |                                 1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/scc_core.f90:129:18:
  129 |    real(wp) :: dum
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:128:17:
  128 |    integer  :: ii,jj,kk
      |                 1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:128:20:
  128 |    integer  :: ii,jj,kk
      |                    1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:128:23:
  128 |    integer  :: ii,jj,kk
      |                       1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:130:21:
  130 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                     1
Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:130:24:
  130 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                        1
Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:130:28:
  130 |    real(wp) :: eh1,t8,t9,tgb,h1
      |                            1
Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable]
../src/scc_core.f90:727:24:
  727 | pure subroutine setespot(nshell, qsh, jmat, shellShift)
      |                        ^
Warning: ‘setespot’ defined but not used [-Wunused-function]
[410/541] true
[411/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[412/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_grad_core.f90.o -c ../src/grad_core.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/grad_core.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/grad_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/grad_core.f90:33:41:
   33 |    integer, private, parameter :: mmm(20)=(/1,2,2,2,3,3,3,3,3,3,4,4,4,4,4,4,4,4,4,4/)
      |                                         1
Warning: Unused PRIVATE module variable ‘mmm’ declared at (1) [-Wunused-value]
../src/grad_core.f90:46:35:
   46 |    real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz
      |                                   1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:46:39:
   46 |    real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz
      |                                       1
Warning: Unused variable ‘rf1’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:46:43:
   46 |    real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz
      |                                           1
Warning: Unused variable ‘rf2’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:42:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                          1
Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:46:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                              1
Warning: Unused variable ‘t11’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:54:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                                      1
Warning: Unused variable ‘t13’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:34:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                  1
Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable]
../src/grad_core.f90:47:50:
   47 |    real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13
      |                                                  1
Warning: Unused variable ‘t35’ declared at (1) [-Wunused-variable]
[413/541] true
[414/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[415/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[416/541] true
[417/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_splitparam.f90.o -c ../src/splitparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/splitparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/splitparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/splitparam.f90:94:25:
   94 | subroutine cmafrag(nat,at,xyz,r1,r2)
      |                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/splitparam.f90:67:18:
   67 |    real(wp) :: r,f,rco
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/splitparam.f90:66:20:
   66 |    integer  :: i,j,k
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[418/541] true
[419/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_geometry.f90.o -c ../src/main/geometry.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/geometry.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/geometry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/geometry.f90:131:16:
  131 |    integer  :: i,j,k,l,m
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:132:18:
  132 |    integer  :: iat,jat
      |                  1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:133:19:
  133 |    integer  :: imax,imin
      |                   1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:133:24:
  133 |    integer  :: imax,imin
      |                        1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:18:
  131 |    integer  :: i,j,k,l,m
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:132:22:
  132 |    integer  :: iat,jat
      |                      1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:20:
  131 |    integer  :: i,j,k,l,m
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:22:
  131 |    integer  :: i,j,k,l,m
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:131:24:
  131 |    integer  :: i,j,k,l,m
      |                        1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:149:25:
  149 |    real(wp) :: moments(3)
      |                         1
Warning: Unused variable ‘moments’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:323:18:
  323 |    integer :: imax,imin
      |                  1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:323:23:
  323 |    integer :: imax,imin
      |                       1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:462:29:
  462 | subroutine calc_torsions(n,at,xyz,bond,maxtrsn,ntrsn,trsn,it)
      |                             1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/geometry.f90:290:18:
  290 |    integer :: imax,imin
      |                  1
Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:290:23:
  290 |    integer :: imax,imin
      |                       1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/main/geometry.f90:419:27:
  419 | subroutine calc_angles(n,at,xyz,bond,maxbend,nbend,bend,ib)
      |                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
[420/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_axis_trafo.f90.o -c ../src/axis_trafo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/axis_trafo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/axis_trafo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/axis_trafo.f90:369:5:
  369 |    80       evec(j,1)=-evec(j,1)
      |     1
Warning: Label 80 at (1) defined but not used [-Wunused-label]
../src/axis_trafo.f90:305:34:
  305 |    subroutine axis3(mode,numat,nat,coord,coordout,eig)
      |                                  1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/axis_trafo.f90:206:30:
  206 |   subroutine axisvec(numat,nat,xyz,aa,bb,cc,evec)
      |                              1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/axis_trafo.f90:115:28:
  115 |   subroutine axis2(numat,nat,xyz,aa,bb,cc,avmom,sumw)
      |                            1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/axis_trafo.f90:21:27:
   21 |   subroutine axis(numat,nat,xyz,aa,bb,cc)
      |                           1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
[421/541] true
[422/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_geosum.f90.o -c ../src/geosum.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/geosum.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/geosum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/geosum.f90:34:22:
   34 |    integer nm,ij,m,iat,jat, nsel
      |                      1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/geosum.f90:34:16:
   34 |    integer nm,ij,m,iat,jat, nsel
      |                1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/geosum.f90:33:28:
   33 |    integer i, j, nn, k, imin, jmin, iat1, iat2
      |                            1
Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable]
../src/geosum.f90:35:26:
   35 |    integer nt,a,b,ia,ib,ja,jb,ii,jj,lin,linij
      |                          1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/geosum.f90:34:26:
   34 |    integer nm,ij,m,iat,jat, nsel
      |                          1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/geosum.f90:33:34:
   33 |    integer i, j, nn, k, imin, jmin, iat1, iat2
      |                                  1
Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable]
../src/geosum.f90:34:13:
   34 |    integer nm,ij,m,iat,jat, nsel
      |             1
Warning: Unused variable ‘nm’ declared at (1) [-Wunused-variable]
../src/geosum.f90:31:20:
   31 |    real*8 brad,r,xxx,yyy,zzz,avv
      |                    1
Warning: Unused variable ‘xxx’ declared at (1) [-Wunused-variable]
../src/geosum.f90:31:24:
   31 |    real*8 brad,r,xxx,yyy,zzz,avv
      |                        1
Warning: Unused variable ‘yyy’ declared at (1) [-Wunused-variable]
../src/geosum.f90:31:28:
   31 |    real*8 brad,r,xxx,yyy,zzz,avv
      |                            1
Warning: Unused variable ‘zzz’ declared at (1) [-Wunused-variable]
[423/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_local.f90.o -c ../src/local.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/local.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/local.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/local.f90:291:19:
  291 |       rklmo(1:3,i)=ecent(i,1:3)
      |                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:292:19:
  292 |       rklmo(  4,i)=ecent(i,  4)
      |                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:293:19:
  293 |       rklmo(  5,i)=real(jdum)
      |                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:454:28:
  454 |             rklmo(1:3,n+k)= dtot(1:3)
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:469:28:
  469 |             rklmo(1:3,n+k)= dtot(1:3)
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/local.f90:807:12:
  807 |    integer i,j
      |            1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/local.f90:807:14:
  807 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/local.f90:68:29:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                             1
Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable]
../src/local.f90:69:28:
   69 |    character(len=80) :: atmp
      |                            1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/local.f90:68:32:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                                1
Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable]
../src/local.f90:68:35:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                                   1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/local.f90:66:25:
   66 |    real(wp) :: dd,dum,det,pp,dtot(3),diptot,thr,t0,w0,t1,w1,vec1(3),v(6)
      |                         1
Warning: Unused variable ‘det’ declared at (1) [-Wunused-variable]
../src/local.f90:20:72:
   20 | subroutine local(nat,at,nbf,nao,ihomo,xyz,z,focc,s,p,cmo,eig,q,etot,gbsa,basis)
      |                                                                        1
Warning: Unused dummy argument ‘gbsa’ at (1) [-Wunused-dummy-argument]
../src/local.f90:62:47:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                               1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/local.f90:62:29:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                             1
Warning: Unused variable ‘imo1’ declared at (1) [-Wunused-variable]
../src/local.f90:62:34:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                  1
Warning: Unused variable ‘imo2’ declared at (1) [-Wunused-variable]
../src/local.f90:57:33:
   57 |    integer, allocatable :: ind(:)
      |                                 1
Warning: Unused variable ‘ind’ declared at (1) [-Wunused-variable]
../src/local.f90:73:34:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                                  1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/local.f90:61:46:
   61 |    integer mo,n,i,j,k,ii,jj,imem(nat),idum,isc,iso,nop,pilist(ihomo)
      |                                              1
Warning: Unused variable ‘isc’ declared at (1) [-Wunused-variable]
../src/local.f90:61:50:
   61 |    integer mo,n,i,j,k,ii,jj,imem(nat),idum,isc,iso,nop,pilist(ihomo)
      |                                                  1
Warning: Unused variable ‘iso’ declared at (1) [-Wunused-variable]
../src/local.f90:62:39:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                       1
Warning: Unused variable ‘iso1’ declared at (1) [-Wunused-variable]
../src/local.f90:62:44:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                                            1
Warning: Unused variable ‘iso2’ declared at (1) [-Wunused-variable]
../src/local.f90:73:22:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                      1
Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable]
../src/local.f90:62:17:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                 1
Warning: Unused variable ‘lamdu1’ declared at (1) [-Wunused-variable]
../src/local.f90:62:24:
   62 |    integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1
      |                        1
Warning: Unused variable ‘lamdu2’ declared at (1) [-Wunused-variable]
../src/local.f90:73:29:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                             1
Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable]
../src/local.f90:73:16:
   73 |    integer LWORK,IWORK,LIWORK,INFO
      |                1
Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable]
../src/local.f90:64:43:
   64 |    integer i1,i2,i3,is3,ipi,piset(nat),ncyc,j1,j2,smo,pmo,nl,nm,nr
      |                                           1
Warning: Unused variable ‘ncyc’ declared at (1) [-Wunused-variable]
../src/local.f90:41:36:
   41 |    real(wp),allocatable :: oc(:,:,:)
      |                                    1
Warning: Unused variable ‘oc’ declared at (1) [-Wunused-variable]
../src/local.f90:68:26:
   68 |    real(wp) :: praxis(3,3),aa,bb,cc
      |                          1
Warning: Unused variable ‘praxis’ declared at (1) [-Wunused-variable]
../src/local.f90:44:36:
   44 |    real(wp),allocatable :: qua (:,:)
      |                                    1
Warning: Unused variable ‘qua’ declared at (1) [-Wunused-variable]
../src/local.f90:67:51:
   67 |    real(wp) :: elumo,ehomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3)
      |                                                   1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/local.f90:67:54:
   67 |    real(wp) :: elumo,ehomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3)
      |                                                      1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/local.f90:53:32:
   53 |    real(wp),allocatable :: rr(:)
      |                                1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/local.f90:66:72:
   66 |    real(wp) :: dd,dum,det,pp,dtot(3),diptot,thr,t0,w0,t1,w1,vec1(3),v(6)
      |                                                                        1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/local.f90:55:38:
   55 |    real(wp),allocatable :: xyztmp(:,:)
      |                                      1
Warning: Unused variable ‘xyztmp’ declared at (1) [-Wunused-variable]
[424/541] true
[425/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_intmodes.f90.o -c ../src/intmodes.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/intmodes.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/intmodes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/intmodes.f90:897:26:
  897 | pure subroutine cma(nat,at,xyz,sum3)
      |                          1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:275:18:
  275 |    integer  :: i,j,k,m,nm,ntot,mm
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:275:33:
  275 |    integer  :: i,j,k,m,nm,ntot,mm
      |                                 1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:264:33:
  264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,&
      |                                 1
Warning: Unused dummy argument ‘molvec’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:264:40:
  264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,&
      |                                        1
Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:276:16:
  276 |    real(wp) :: r,sum3(3),one
      |                1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:106:21:
  106 | subroutine bzmat(n,at,xyzin,bmat)
      |                     1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/intmodes.f90:117:23:
  117 |    integer :: i,k,n3,ia,ii,ic,n36,j,kl
      |                       1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:117:29:
  117 |    integer :: i,k,n3,ia,ii,ic,n36,j,kl
      |                             1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:117:26:
  117 |    integer :: i,k,n3,ia,ii,ic,n36,j,kl
      |                          1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:37:28:
   37 |    integer k,j,kl,l,lend,n36
      |                            1
Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable]
../src/intmodes.f90:36:16:
   36 |    real(wp) norm
      |                1
Warning: Unused variable ‘norm’ declared at (1) [-Wunused-variable]
../src/intmodes.f90: In function ‘__xtb_intmodes_MOD_xyzint’:
../src/intmodes.f90:606:27: warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  606 |       if(i.gt.2)nb(i)=na(k)
      |                           ^
[426/541] true
[427/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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.f90:150:33: warning: ‘__var_1_mmb.offset’ is used uninitialized in this function [-Wuninitialized]
  150 |    turncrd0=matmul(trfm,turncrd0)
      |                                 ^
../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[428/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_constr.f90.o -c ../src/constr.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/constr.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/constr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/constr.f90:174:13:
  174 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |             1
Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable]
../src/constr.f90:174:60:
  174 |    real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2
      |                                                            1
Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable]
../src/constr.f90:173:66:
  173 |    real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d
      |                                                                  1
Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable]
../src/constr.f90:495:42:
  495 |       &         sinphi,cosphi,onenner,thab,thbc,&
      |                                          1
Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable]
../src/constr.f90:495:47:
  495 |       &         sinphi,cosphi,onenner,thab,thbc,&
      |                                               1
Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable]
../src/constr.f90:500:52:
  500 |       &         xyz(3,nat),phi,vecnorm,nenner,eps,vz
      |                                                    1
Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable]
../src/constr.f90:653:15:
  653 |       &     rab,rbc,thab,thbc,valijk,&
      |               1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/constr.f90:653:19:
  653 |       &     rab,rbc,thab,thbc,valijk,&
      |                   1
Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable]
../src/constr.f90:654:31:
  654 |       &     vecnorm,nan,nbn,rcn,snanb,deter,pi,test,&
      |                               1
Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable]
../src/constr.f90:87:26:
   87 |    real(wp) phi,valijkl,a1,a2
      |                          1
Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable]
../src/constr.f90:87:29:
   87 |    real(wp) phi,valijkl,a1,a2
      |                             1
Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable]
../src/constr.f90:87:23:
   87 |    real(wp) phi,valijkl,a1,a2
      |                       1
Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable]
../src/constr.f90:777:27:
  777 |       &        vecnorm,rkjn,rljn,rnn,rvn
      |                           1
Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable]
../src/constr.f90:777:32:
  777 |       &        vecnorm,rkjn,rljn,rnn,rvn
      |                                1
Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable]
[429/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_hamiltonian.f90.o -c ../src/xtb/hamiltonian.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/hamiltonian.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/hamiltonian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/hamiltonian.f90:610:49:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                 1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:61:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:35:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:43:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:611:14:
  611 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:611:17:
  611 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:14:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:38:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:41:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:35:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:44:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:18:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:29:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:20:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:47:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:50:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:615:32:
  615 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:564:16:
  564 |       & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, &
      |                1
Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:564:21:
  564 |       & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, &
      |                     1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:612:47:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:57:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:48:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:18:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:21:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:37:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:44:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:612:25:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:612:34:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:612:43:
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:613:30:
  613 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:57:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:53:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:48:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:15:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:614:22:
  614 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:31:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:37:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:43:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:27:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:30:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:33:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:36:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:16:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:21:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:609:26:
  609 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:610:24:
  610 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:49:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                                 1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:61:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:35:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:43:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:406:14:
  406 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:406:17:
  406 |    real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:53:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                                     1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:14:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:38:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:41:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:35:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:44:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:18:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:29:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:20:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:47:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:50:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:410:32:
  410 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:361:75:
  361 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, &
      |                                                                           1
Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:361:80:
  361 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, &
      |                                                                                1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:407:47:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:57:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:48:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:18:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:21:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:37:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:44:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:407:25:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:407:34:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:407:43:
  407 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:408:30:
  408 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:57:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:53:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:48:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:15:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:409:22:
  409 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:31:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:37:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:43:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:27:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:30:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:33:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:36:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:16:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:21:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:404:26:
  404 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:405:24:
  405 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:49:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                 1
Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:52:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                                    1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:190:19:
  190 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:14:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:17:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:20:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:43:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                           1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:189:27:
  189 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                           1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:189:30:
  189 |    real(wp)  ra(3),rb(3),f1,f2,point(3)
      |                              1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:14:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:38:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:41:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:35:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:44:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:18:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:29:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:20:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:47:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:50:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:184:32:
  184 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:146:50:
  146 | subroutine build_SDQH0(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, &
      |                                                  1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/xtb/hamiltonian.f90:190:27:
  190 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:18:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:21:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:34:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:30:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:186:25:
  186 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:15:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:36:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:42:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:27:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:30:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:33:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:36:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:41:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                                         1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:26:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:185:31:
  185 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90:187:24:
  187 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/xtb/hamiltonian.f90: In function ‘__xtb_xtb_hamiltonian_MOD_build_dsdqh0_noreset._omp_fn.0’:
../src/xtb/hamiltonian.f90:710:64: warning: ‘stmp’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  710 |                         g_xyz(ixyz) = g_xyz(ixyz)+stmp+dtmp+qtmp
      |                                                                ^
../src/xtb/hamiltonian.f90:612:16: note: ‘stmp’ was declared here
  612 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                ^
[430/541] true
[431/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_sphereparam.f90.o -c ../src/sphereparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/sphereparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/sphereparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/sphereparam.f90:655:24:
  655 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz
      |                        1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:655:35:
  655 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz
      |                                   1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:655:38:
  655 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz
      |                                      1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:606:24:
  606 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1
      |                        1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:606:38:
  606 |    real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1
      |                                      1
Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:512:39:
  512 | subroutine polynomial_cavity_all(nat,at,xyz,alpha,center,radius,&
      |                                       1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:478:40:
  478 | subroutine polynomial_cavity_frag(nat,at,xyz,fragment,alpha,center,radius,&
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:444:40:
  444 | subroutine polynomial_cavity_list(nat,at,xyz,nlist,list,alpha,center,radius,&
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:410:37:
  410 | subroutine logfermi_cavity_all(nat,at,xyz,temp,alpha,center,radius,&
      |                                     1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:374:38:
  374 | subroutine logfermi_cavity_frag(nat,at,xyz,fragment,temp,alpha,center,radius,&
      |                                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:338:38:
  338 | subroutine logfermi_cavity_list(nat,at,xyz,nlist,list,temp,alpha,center,radius,&
      |                                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:154:28:
  154 | subroutine getsphererad(n,at,xyz)
      |                            1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/sphereparam.f90:160:21:
  160 |    real(wp) :: dum(3),rx,ry,rz
      |                     1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:22:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:16:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                1
Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:18:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                  1
Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable]
../src/sphereparam.f90:161:20:
  161 |    real(wp) :: x,y,z,f,rr,r
      |                    1
Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable]
[432/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_dynamic.f90.o -c ../src/dynamic.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/dynamic.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/dynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/dynamic.f90:877:0:
  877 | integer function irand(n)
      | 
Warning: ‘irand’ declared at (1) may shadow the intrinsic of the same name.  In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow]
../src/dynamic.f90:787:3:
  787 |  20   call ekinet(n,velo,mass,edum)
      |   1
Warning: Label 20 at (1) defined but not used [-Wunused-label]
../src/dynamic.f90:881:9:
  881 |    irand=n*x
      |         1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:247:10:
  247 |    cdump0=dump_md/tstep_md    ! scoord
      |          1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:248:12:
  248 |    dumpstep=dump_md2/tstep_md ! xyz
      |            1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:271:8:
  271 |    nmax=tmax*1000/tstep0
      |        1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:272:24:
  272 |    if(gmd.or.equi) nmax=maxtime*1000/tstep0
      |                        1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/dynamic.f90:879:14:
  879 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:844:35:
  844 |    integer, allocatable :: iseed(:)
      |                                   1
Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:843:14:
  843 |    integer i,j
      |              1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:840:14:
  840 |    real x,ranf
      |              1
Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:817:40:
  817 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:769:23:
  769 |       integer iat(n),nh,i,j
      |                       1
Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:714:26:
  714 |       subroutine blocksd(n,nbl,ebl,tbl,esd,tsd)
      |                          1
Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument]
../src/dynamic.f90:180:38:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                      1
Warning: Unused variable ‘b0’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:180:32:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                1
Warning: Unused variable ‘be’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:177:47:
  177 |    real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2
      |                                               1
Warning: Unused variable ‘cma’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:177:40:
  177 |    real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2
      |                                        1
Warning: Unused variable ‘dav’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:180:49:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                                 1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:178:18:
  178 |    real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:175:24:
  175 |    real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr
      |                        1
Warning: Unused variable ‘eel1’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:181:17:
  181 |    logical  :: ex,thermostat,restart,confdump,equi,gmd,ldum
      |                 1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:201:19:
  201 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:199:40:
  199 |    character(len=:),allocatable :: fname
      |                                        1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:28:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                            1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:58:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                                          1
Warning: Unused variable ‘ibin’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:22:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                      1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:34:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                  1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:31:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                               1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:25:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                         1
Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:37:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                     1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:181:59:
  181 |    logical  :: ex,thermostat,restart,confdump,equi,gmd,ldum
      |                                                           1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:183:42:
  183 |    integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin
      |                                          1
Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:175:19:
  175 |    real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr
      |                   1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:192:36:
  192 |    real(wp),allocatable :: tmpx(:,:)
      |                                    1
Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:180:42:
  180 |    real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3)
      |                                          1
Warning: Unused variable ‘tor’ declared at (1) [-Wunused-variable]
../src/dynamic.f90:178:37:
  178 |    real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime
      |                                     1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/dynamic.f90: In function ‘__xtb_dynamic_MOD_md’:
../src/dynamic.f90:196:40: warning: ‘intgeoav.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  196 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                        ^
../src/dynamic.f90:196:40: warning: ‘intgeoav.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
../src/dynamic.f90:617:15: warning: ‘intgeo.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  617 |             if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes
      |               ^
../src/dynamic.f90:617:15: warning: ‘intgeo.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized]
../src/dynamic.f90:633:45: warning: ‘intgeo.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  633 |          intgeoav = intgeoav + intgeo-intgeo0
      |                                             ^
../src/dynamic.f90:633:45: warning: ‘intgeo.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  633 |          intgeoav = intgeoav + intgeo-intgeo0
      |                                             ^
../src/dynamic.f90:196:50: warning: ‘tmpg.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  196 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                                  ^
../src/dynamic.f90:613:28: warning: ‘tmpg.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  613 |          tmpg=mol%xyz/aatoau
      |                            ^
../src/dynamic.f90:196:50: warning: ‘tmpg.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  196 |    real(wp),allocatable :: intgeoav(:,:),tmpg(:,:)
      |                                                  ^
../src/dynamic.f90:613:28: warning: ‘tmpg.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  613 |          tmpg=mol%xyz/aatoau
      |                            ^
[433/541] true
[434/541] true
[435/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_calculator.f90.o -c ../src/gfnff/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/calculator.f90:230:36:
  230 | subroutine writeInfo(self, unit, mol)
      |                                    1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:206:52:
  206 | subroutine print_gfnff_results(iunit,res_gff,verbose,lsolv)
      |                                                    1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:79:42:
   79 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, &
      |                                          1
Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument]
../src/gfnff/calculator.f90:119:19:
  119 |    integer :: i,ich
      |                   1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:122:19:
  122 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:120:25:
  120 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
../src/gfnff/calculator.f90:79:63:
   79 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, &
      |                                                               1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
[436/541] true
[437/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_dummycalc.f90.o -c ../src/type/dummycalc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/type/dummycalc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/type/dummycalc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/type/dummycalc.f90:191:36:
  191 | subroutine writeInfo(self, unit, mol)
      |                                    1
Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument]
../src/type/dummycalc.f90:191:25:
  191 | subroutine writeInfo(self, unit, mol)
      |                         1
Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument]
../src/type/dummycalc.f90:109:19:
  109 |    integer :: i,ich
      |                   1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/type/dummycalc.f90:113:19:
  113 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/type/dummycalc.f90:110:25:
  110 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
../src/type/dummycalc.f90:70:63:
   70 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, &
      |                                                               1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
[438/541] true
[439/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_scf_module.f90.o -c ../src/scf_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/scf_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/scf_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scf_module.f90:63:36:
   63 |    integer, parameter :: metal(1:86) = [&
      |                                    1
Warning: Unused PRIVATE module variable ‘metal’ declared at (1) [-Wunused-value]
../src/scf_module.f90:179:37:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                     1
Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:199:29:
  199 |    character(len=128) :: atmp,ftmp
      |                             1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:161:34:
  161 |    real(wp),allocatable :: aw(:,:)
      |                                  1
Warning: Unused variable ‘aw’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:162:36:
  162 |    real(wp),allocatable :: c6ab(:,:)
      |                                    1
Warning: Unused variable ‘c6ab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:48:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                1
Warning: Unused variable ‘drfdxyz’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:37:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                     1
Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:43:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                           1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:46:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                              1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:49:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                                 1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:18:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                  1
Warning: Unused variable ‘efa’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:22:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                      1
Warning: Unused variable ‘efb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:177:48:
  177 |    real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix
      |                                                1
Warning: Unused variable ‘efix’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:23:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                       1
Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:48:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                1
Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:32:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                1
Warning: Unused variable ‘eold’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:186:20:
  186 |    real(wp) :: esave,eel
      |                    1
Warning: Unused variable ‘esave’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:200:16:
  200 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:43:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                                           1
Warning: Unused variable ‘exc’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:53:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                                     1
Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:199:34:
  199 |    character(len=128) :: atmp,ftmp
      |                                  1
Warning: Unused variable ‘ftmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:200:34:
  200 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                                  1
Warning: Unused variable ‘fulldiag’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:23:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                       1
Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:26:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                          1
Warning: Unused variable ‘gj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:73:48:
   73 |       & egap, et, maxiter, prlevel, restart, grd, acc, energy, gradient, res)
      |                                                1
Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument]
../src/scf_module.f90:185:39:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                                       1
Warning: Unused variable ‘gtmp’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:52:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                    1
Warning: Unused variable ‘h0s’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:19:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                   1
Warning: Unused variable ‘h0sr’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:31:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                               1
Warning: Unused variable ‘hav’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:39:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                       1
Warning: Unused variable ‘hdii’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:44:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                            1
Warning: Unused variable ‘hdjj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:177:43:
  177 |    real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix
      |                                           1
Warning: Unused variable ‘hlgap’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:57:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                         1
Warning: Unused variable ‘hmat’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:19:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                   1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:22:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                      1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:33:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                 1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:193:17:
  193 |    integer :: ich ! file handle
      |                 1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:200:50:
  200 |    logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail
      |                                                  1
Warning: Unused variable ‘iniqsh’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:48:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                                1
Warning: Unused variable ‘jmpol’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:197:19:
  197 |    integer :: is,js,gav
      |                   1
Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:27:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                           1
Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:56:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                                        1
Warning: Unused variable ‘kdampxb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:187:39:
  187 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                                       1
Warning: Unused variable ‘kexpe’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:26:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                          1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:58:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                                          1
Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:41:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:16:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:45:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                             1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:61:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                                             1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:64:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                                                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:160:20:
  160 |    real(wp) :: molc6,molc8,molpol
      |                    1
Warning: Unused variable ‘molc6’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:160:26:
  160 |    real(wp) :: molc6,molc8,molpol
      |                          1
Warning: Unused variable ‘molc8’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:39:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                                       1
Warning: Unused variable ‘ndimv’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:28:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                            1
Warning: Unused variable ‘nfoda’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:180:34:
  180 |    real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff
      |                                  1
Warning: Unused variable ‘nfodb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:196:25:
  196 |    integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag
      |                         1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:195:30:
  195 |    integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2
      |                              1
Warning: Unused variable ‘np’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:194:17:
  194 |    integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm
      |                 1
Warning: Unused variable ‘npr’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:58:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                                          1
Warning: Unused variable ‘r0i’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:62:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                                                              1
Warning: Unused variable ‘r0j’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:42:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                          1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:27:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                           1
Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:62:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                                                              1
Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:59:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                           1
Warning: Unused variable ‘rav’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:42:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                          1
Warning: Unused variable ‘repab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:27:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                           1
Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:163:34:
  163 |    real(wp),allocatable :: rvol(:)
      |                                  1
Warning: Unused variable ‘rvol’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:124:35:
  124 |    real(wp),allocatable :: S12(:,:)
      |                                   1
Warning: Unused variable ‘s12’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:17:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                 1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:179:20:
  179 |    real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j
      |                    1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:187:22:
  187 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                      1
Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:187:25:
  187 |    real(wp) :: eaes,t6,t7,pi,epol,kexpe
      |                         1
Warning: Unused variable ‘t7’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:63:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                               1
Warning: Unused variable ‘tab’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:55:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                       1
Warning: Unused variable ‘tex’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:61:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                                             1
Warning: Unused variable ‘vvxb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:17:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                 1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:185:20:
  185 |    real(wp) :: w0,w1,damp,damp0,gtmp(3),exc
      |                    1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:17:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                 1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:17:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                 1
Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:181:20:
  181 |    real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2
      |                    1
Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:21:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                     1
Warning: Unused variable ‘xa’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:24:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                        1
Warning: Unused variable ‘xb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:136:36:
  136 |    real(wp),allocatable :: Xcao(:,:)
      |                                    1
Warning: Unused variable ‘xcao’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:184:20:
  184 |    real(wp) :: w2,xj,gi,gj,eatoms,neglect2
      |                    1
Warning: Unused variable ‘xj’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:19:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                   1
Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:178:39:
  178 |    real(wp) :: xsum,eh1,rab,eold,dum,xx,r2
      |                                       1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:27:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                           1
Warning: Unused variable ‘ya’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:30:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                              1
Warning: Unused variable ‘yb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:182:51:
  182 |    real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp
      |                                                   1
Warning: Unused variable ‘yy’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:33:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                 1
Warning: Unused variable ‘za’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:183:36:
  183 |    real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb
      |                                    1
Warning: Unused variable ‘zb’ declared at (1) [-Wunused-variable]
../src/scf_module.f90:863:0:
  863 | pure elemental function early3d(i) result(bool)
      | 
Warning: ‘early3d’ defined but not used [-Wunused-function]
[440/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_constrain_param.f90.o -c ../src/constrain_param.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/constrain_param.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/constrain_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/constrain_param.f90:1404:19:
 1404 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1402:18:
 1402 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1403:19:
 1403 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1405:19:
 1405 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1358:40:
 1358 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz)
      |                                        1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1370:19:
 1370 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1373:16:
 1373 |    integer  :: i,j
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1358:46:
 1358 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz)
      |                                              1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1373:18:
 1373 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1371:19:
 1371 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1372:24:
 1372 |    integer  :: list(nat),nlist
      |                        1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1372:30:
 1372 |    integer  :: list(nat),nlist
      |                              1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1358:50:
 1358 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz)
      |                                                  1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1281:41:
 1281 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1281:47:
 1281 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz)
      |                                               1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1298:19:
 1298 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1299:20:
 1299 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1281:51:
 1281 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz)
      |                                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1234:38:
 1234 | subroutine set_path(env,key,val,nat,at,idMap,xyz)
      |                                      1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1250:19:
 1250 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1254:16:
 1254 |    integer  :: i,j
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1234:44:
 1234 | subroutine set_path(env,key,val,nat,at,idMap,xyz)
      |                                            1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1254:18:
 1254 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1251:19:
 1251 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1252:20:
 1252 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1234:48:
 1234 | subroutine set_path(env,key,val,nat,at,idMap,xyz)
      |                                                1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1187:41:
 1187 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz)
      |                                         1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1203:19:
 1203 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1207:16:
 1207 |    integer  :: i,j
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1187:47:
 1187 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz)
      |                                               1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1207:18:
 1207 |    integer  :: i,j
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1204:19:
 1204 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1205:20:
 1205 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1187:51:
 1187 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz)
      |                                                   1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1116:19:
 1116 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1118:34:
 1118 |    integer, allocatable :: list(:)
      |                                  1
Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1102:48:
 1102 | subroutine set_hess(env,key,val,nat,at,idMap,xyz)
      |                                                1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1024:39:
 1024 | subroutine set_split(env,key,val,nat,at,idMap,xyz)
      |                                       1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1037:19:
 1037 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1024:45:
 1024 | subroutine set_split(env,key,val,nat,at,idMap,xyz)
      |                                             1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:1038:19:
 1038 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:1024:49:
 1024 | subroutine set_split(env,key,val,nat,at,idMap,xyz)
      |                                                 1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:900:29:
  900 |    real(wp) :: ddum,darray(3)
      |                             1
Warning: Unused variable ‘darray’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:886:44:
  886 | subroutine set_wall(env,key,val,nat,at,idMap,xyz)
      |                                            1
Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:901:19:
  901 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:797:19:
  797 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:404:20:
  404 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:289:19:
  289 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:284:16:
  284 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:287:20:
  287 |    integer  :: nlist
      |                    1
Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:268:47:
  268 | subroutine set_fix(env,key,val,nat,at,idMap,xyz)
      |                                               1
Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument]
../src/constrain_param.f90:121:19:
  121 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:116:15:
  116 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:118:16:
  118 |    integer :: ic
      |                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:119:16:
  119 |    integer :: ie
      |                1
Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:112:38:
  112 |    character(len=:),allocatable :: key
      |                                      1
Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:114:42:
  114 |    character(len=:),allocatable :: newname
      |                                          1
Warning: Unused variable ‘newname’ declared at (1) [-Wunused-variable]
../src/constrain_param.f90:113:38:
  113 |    character(len=:),allocatable :: val
      |                                      1
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
[441/541] true
[442/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o -c ../src/gfnff/gfnff_ini.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_ini.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_ini.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_ini.f90:396:24:
  396 |            rabd(k, i) = param%rad(mol%at(i)) + param%rad(mol%at(k))
      |                        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/gfnff/gfnff_ini.f90:55:33:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                                 1
Warning: Unused variable ‘aat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:29:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                             1
Warning: Unused variable ‘atb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:99:29:
   99 |       character(len=255) atmp
      |                             1
Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:25:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                         1
Warning: Unused variable ‘bat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:76:45:
   76 |       logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known
      |                                             1
Warning: Unused variable ‘cnij’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:37:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                                     1
Warning: Unused variable ‘current’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:65:39:
   65 |       real(wp) shift,dum,dum1,dum2,dum4,qafac,fqq,feta
      |                                       1
Warning: Unused variable ‘dum4’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:76:40:
   76 |       logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known
      |                                        1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:37:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                                     1
Warning: Unused variable ‘hat’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:17:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                 1
Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:55:21:
   55 |       integer hbA,hbH,Bat,atB,Aat,Hat
      |                     1
Warning: Unused variable ‘hbh’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:76:19:
   76 |       logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known
      |                   1
Warning: Unused variable ‘heavy’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:77:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                                             1
Warning: Unused variable ‘jdum’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:69:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                                     1
Warning: Unused variable ‘ka’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:25:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                         1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:49:33:
   49 |       integer ati,atj,atk,i,j,k,l,lin,nn,ii,jj,kk,ll,m,rings,ia,ja,ij,ix,nnn,idum,ip,ji,no
      |                                 1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:22:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                      1
Warning: Unused variable ‘maxhb’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:52:29:
   52 |       integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2
      |                             1
Warning: Unused variable ‘n13’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:48:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                1
Warning: Unused variable ‘nn1’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:52:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                                    1
Warning: Unused variable ‘nn2’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:71:24:
   71 |       real(wp) fkl,qreps,fbsmall,bohr
      |                        1
Warning: Unused variable ‘qreps’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:50:44:
   50 |       integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc
      |                                            1
Warning: Unused variable ‘ringtyp’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:75:60:
   75 |       logical lring,picon,notpicon,bridge,sp3ij,ccij,success
      |                                                            1
Warning: Unused variable ‘success’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90:70:21:
   70 |       real(wp) xx(20)
      |                     1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/gfnff/gfnff_ini.f90: In function ‘__xtb_gfnff_ini_MOD_gfnff_ini’:
../src/gfnff/gfnff_ini.f90:540:41: warning: ‘ifrag’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  540 |             dum2=topo%qfrag(ifrag) ! save
      |                                         ^
[443/541] true
[444/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o -c ../src/gfnff/gfnff_setup.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/gfnff_setup.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/gfnff_setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/gfnff_setup.f90: In function ‘__xtb_gfnff_setup_MOD_gfnff_input’:
../src/gfnff/gfnff_setup.f90:191:22: warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  191 |         topo%nb(1,i)=k
      |                      ^
[445/541] true
[446/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[447/541] true
[448/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_surfac.f.o -c ../src/surfac.f
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/surfac.f: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/surfac.f: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/surfac.f:30:51:
   30 |       real(wp)                          :: point(3),rx,ry,rz,r,r2,rsas
      |                                                   1
Warning: Unused variable ‘point’ declared at (1) [-Wunused-variable]
../src/surfac.f:30:62:
   30 |       real(wp)                          :: point(3),rx,ry,rz,r,r2,rsas
      |                                                              1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
[449/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_symparam.f90.o -c ../src/symparam.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/symparam.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/symparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[450/541] true
[451/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_symtranslib.f90.o -c ../src/symtranslib.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/symtranslib.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/symtranslib.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/symtranslib.f90:296:51:
  296 |   250 call mult3 (u(1,nto*ncoset+it),scr,u(1,it),3)
      |                                                   1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 250 at (1)
../src/symtranslib.f90:340:51:
  340 |       5 write(6,'(i4,1x,9f8.4)') it,(u(i,it),i=1,9)
      |                                                   1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 5 at (1)
../src/symtranslib.f90:472:18:
  472 |   10  unit(i) = a0
      |                  1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/symtranslib.f90:507:27:
  507 |   200 gen(i,ngen) = unit(i)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 200 at (1)
../src/symtranslib.f90:532:27:
  532 |   350 gen(i,ngen) =-unit(i)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 350 at (1)
../src/symtranslib.f90:551:22:
  551 |   420 gen(i,ngen) = a0
      |                      1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 420 at (1)
../src/symtranslib.f90:587:28:
  587 |   550 gen(j,ngen) = -unit(j)
      |                            1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 550 at (1)
../src/symtranslib.f90:606:27:
  606 |   700 gen(j,ngen) = unit(j)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 700 at (1)
../src/symtranslib.f90:700:18:
  700 |       do 575 j=1,3
      |                  1
Warning: Fortran 2018 deleted feature: Shared DO termination label 575 at (1)
../src/symtranslib.f90:742:37:
  742 |   10  s = s + (b(k)-a(k))*(b(k)-a(k))
      |                                     1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/symtranslib.f90:761:27:
  761 |   10  s = s + b(i,k)*c(k,j)
      |                           1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1)
../src/symtranslib.f90:762:16:
  762 |   20  a(i,j) = s
      |                1
Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1)
../src/symtranslib.f90:187:48:
  187 |       subroutine grpsmb(sflies,csf,cla,nn,nprisy)
      |                                                1
Warning: Unused dummy argument ‘nprisy’ at (1) [-Wunused-dummy-argument]
../src/symtranslib.f90:623:28:
  623 |       integer ntrans,i,j,nat,it,k,m
      |                            1
Warning: Unused variable ‘nat’ declared at (1) [-Wunused-variable]
[452/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_set_module.f90.o -c ../src/set_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/set_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/set_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/set_module.f90:2380:19:
 2380 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2378:18:
 2378 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2379:19:
 2379 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2381:19:
 2381 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2361:24:
 2361 | subroutine set_split(env,key,val)
      |                        1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2361:28:
 2361 | subroutine set_split(env,key,val)
      |                            1
Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2361:32:
 2361 | subroutine set_split(env,key,val)
      |                                1
Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument]
../src/set_module.f90:2296:18:
 2296 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2299:19:
 2299 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2272:19:
 2272 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2270:18:
 2270 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2271:19:
 2271 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2273:19:
 2273 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2210:18:
 2210 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2222:23:
 2222 |    logical,save :: set8 = .true.
      |                       1
Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2166:62:
 2166 |    character(len=p_str_length),dimension(p_arg_length) :: argv
      |                                                              1
Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2159:18:
 2159 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2164:16:
 2164 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2165:19:
 2165 |    integer  :: narg
      |                   1
Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2118:18:
 2118 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2119:19:
 2119 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2096:18:
 2096 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2097:19:
 2097 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2099:19:
 2099 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2052:19:
 2052 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2050:18:
 2050 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2051:19:
 2051 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2053:19:
 2053 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2061:23:
 2061 |    logical,save :: set8 = .true.
      |                       1
Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2026:18:
 2026 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:2029:19:
 2029 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1990:18:
 1990 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1991:19:
 1991 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1993:19:
 1993 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1961:18:
 1961 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1962:19:
 1962 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1964:19:
 1964 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1967:23:
 1967 |    logical,save :: set3 = .true.
      |                       1
Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1917:18:
 1917 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1920:19:
 1920 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1848:18:
 1848 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1814:18:
 1814 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1817:19:
 1817 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1786:18:
 1786 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1787:19:
 1787 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1789:19:
 1789 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1733:18:
 1733 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1634:18:
 1634 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1579:18:
 1579 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1582:19:
 1582 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1412:18:
 1412 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1433:24:
 1433 |    logical,save :: set18 = .true.
      |                        1
Warning: Unused variable ‘set18’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1364:18:
 1364 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1367:19:
 1367 |    logical  :: ldum
      |                   1
Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1319:19:
 1319 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1317:18:
 1317 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1248:19:
 1248 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1246:18:
 1246 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1105:19:
 1105 |    real(wp) :: ddum
      |                   1
Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1103:18:
 1103 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1104:19:
 1104 |    integer  :: idum
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1082:18:
 1082 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1062:18:
 1062 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:1044:18:
 1044 |    integer  :: err
      |                  1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/set_module.f90:729:19:
  729 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:722:15:
  722 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:724:16:
  724 |    integer :: ic
      |                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/set_module.f90:725:16:
  725 |    integer :: ie
      |                1
Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable]
../src/set_module.f90:718:38:
  718 |    character(len=:),allocatable :: key
      |                                      1
Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable]
../src/set_module.f90:719:38:
  719 |    character(len=:),allocatable :: val
      |                                      1
Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable]
../src/set_module.f90:686:19:
  686 |    logical :: exist
      |                   1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/set_module.f90:568:15:
  568 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:458:15:
  458 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90:433:15:
  433 |    integer :: i
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/set_module.f90: In function ‘__xtb_setmod_MOD_write_set_thermo’:
../src/set_module.f90:234:7: warning: ‘idum’ is used uninitialized in this function [-Wuninitialized]
  234 |    if (thermotemp(idum+1).ne.0.0_wp) idum = size(thermotemp,1)
      |       ^
[453/541] true
[454/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[455/541] true
[456/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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
[457/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_rdcoord2.f90.o -c ../src/rdcoord2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/rdcoord2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/rdcoord2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/rdcoord2.f90:286:20:
  286 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/rdcoord2.f90:281:40:
  281 |    character(len=:),allocatable :: wfile
      |                                        1
Warning: Unused variable ‘wfile’ declared at (1) [-Wunused-variable]
../src/rdcoord2.f90:41:18:
   41 |    integer  :: j,k,ich,cs,cf,ncheck
      |                  1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
[458/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_tmgrad.f90.o -c ../src/tmgrad.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/tmgrad.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/tmgrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/tmgrad.f90:50:5:
   44 | 20 read(ien,'(a)',end=44)a
      |                          2
......
   50 |    44 write(jen,'(i6,3F18.11)')j+1,edum,edum,edum
      |     1
Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2)
../src/tmgrad.f90:78:5:
   72 | 21 read(igr,'(a)',end=41)a
      |                          2
......
   78 |    41 write(jgr,'(''  cycle = '',i6,4x,''SCF energy ='',F18.11,3x, &
      |     1
Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2)
../src/tmgrad.f90:28:20:
   28 |    integer  :: i,j,k,nn,stat
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/tmgrad.f90:28:28:
   28 |    integer  :: i,j,k,nn,stat
      |                            1
Warning: Unused variable ‘stat’ declared at (1) [-Wunused-variable]
[459/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_topology.f90.o -c ../src/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/topology.f90:136:17:
  136 |    integer :: iat, neigh
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
[460/541] true
[461/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[462/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_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]
[463/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_zmatpr.f90.o -c ../src/zmatpr.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/zmatpr.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/zmatpr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/zmatpr.f90:29:17:
   29 |    logical  :: ex
      |                 1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
[464/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/symmetry_symmetry.f90.o -c ../symmetry/symmetry.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../symmetry/symmetry.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../symmetry/symmetry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[465/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xhelp.f90.o -c ../src/xhelp.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xhelp.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xhelp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[466/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_peeq_module.f90.o -c ../src/peeq_module.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/peeq_module.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/peeq_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/peeq_module.f90:1600:27:
 1600 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:61:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:35:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:16:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1600:18:
 1600 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:14:
 1601 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1601:17:
 1601 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:53:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                     1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1606:72:
 1606 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                                                                        1
Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1606:28:
 1606 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                            1
Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:38:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:41:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:35:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:44:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:18:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:57:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                         1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:29:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:20:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                    1
Warning: Unused variable ‘m��� declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:47:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:50:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1605:32:
 1605 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1559:21:
 1559 |       & thr, nao, nbf, at, xyz, trans, P, Pew, g, sigma, dHdcn, dHdq)
      |                     1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1602:47:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:57:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:48:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:21:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                     1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:18:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:21:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:37:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:44:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:25:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:34:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1602:43:
 1602 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1603:30:
 1603 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:57:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:53:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:48:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:15:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1604:22:
 1604 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:31:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:37:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:43:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:27:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:30:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:33:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:36:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1600:16:
 1600 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:16:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:21:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1598:26:
 1598 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1599:24:
 1599 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1619:17:
 1619 |    integer  :: tx,ty,tz
      |                 1
Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1619:20:
 1619 |    integer  :: tx,ty,tz
      |                    1
Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1619:23:
 1619 |    integer  :: tx,ty,tz
      |                       1
Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:27:
 1366 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:61:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                             1
Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:35:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                   1
Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:16:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:18:
 1366 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:14:
 1367 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3)
      |              1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1367:17:
 1367 |    real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3)
      |                 1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:53:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                     1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1372:72:
 1372 |    integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz
      |                                                                        1
Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:38:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:41:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:35:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:44:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:18:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:57:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                         1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:29:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:20:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:47:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:50:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1371:32:
 1371 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1324:21:
 1324 |       & thr, nao, nbf, at, xyz, lattice, P, Pew, g, sigma, dHdcn, dHdq, wsc)
      |                     1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1368:47:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                               1
Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:57:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                                         1
Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:48:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                                                1
Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:21:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                     1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:18:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:21:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:37:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                     1
Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:44:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                                            1
Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:25:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                         1
Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:34:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                  1
Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1368:43:
 1368 |    real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre
      |                                           1
Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1369:30:
 1369 |    real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3)
      |                              1
Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:57:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                         1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:53:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                     1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:48:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                                1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:15:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1370:22:
 1370 |    real(wp)  ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3)
      |                      1
Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:31:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                               1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:37:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                     1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:43:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                                           1
Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:27:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:30:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:33:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:36:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1366:16:
 1366 |    real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est
      |                1
Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:16:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:21:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1364:26:
 1364 |    real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1365:24:
 1365 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1278:17:
 1278 |    real(wp) :: ab,est,saw,sawg(3)
      |                 1
Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1277:42:
 1277 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1254:76:
 1254 | pure subroutine get_grad_overlap(icao,jcao,naoi,naoj,iptyp,jptyp,ri,rj,point,intcut, &
      |                                                                            1
Warning: Unused dummy argument ‘point’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1212:42:
 1212 |    real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc
      |                                          1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:47:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                               1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1043:45:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                             1
Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1043:19:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:14:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:17:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:20:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:38:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1041:27:
 1041 |    real(wp)  ri(3),rj(3),f1,f2
      |                           1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1041:30:
 1041 |    real(wp)  ri(3),rj(3),f1,f2
      |                              1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1049:14:
 1049 |    integer kat
      |              1
Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:38:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:41:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:35:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:44:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:18:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:29:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:20:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:47:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:50:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1030:32:
 1030 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1000:71:
 1000 | subroutine pbc_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, &
      |                                                                       1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:1043:55:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                                       1
Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1043:27:
 1043 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:18:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:21:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:34:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:30:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1032:25:
 1032 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:15:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1044:22:
 1044 |    real(wp) sstmp(6,6) !TESTST
      |                      1
Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:36:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:42:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:27:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:30:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:33:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:36:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:16:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:21:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:26:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1031:31:
 1031 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:1033:24:
 1033 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:47:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                               1
Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:854:45:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                             1
Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:854:19:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                   1
Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:14:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |              1
Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:17:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                 1
Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:20:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                    1
Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:38:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                      1
Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:852:32:
  852 |    real(wp)  ri(3),rj(3),t(3),f1,f2
      |                                1
Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:852:35:
  852 |    real(wp)  ri(3),rj(3),t(3),f1,f2
      |                                   1
Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:38:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                      1
Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:41:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                         1
Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:35:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                   1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:44:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                            1
Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:18:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                  1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:29:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                             1
Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:20:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                    1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:47:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                               1
Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:50:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                                  1
Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:841:32:
  841 |    integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij
      |                                1
Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:809:71:
  809 | subroutine ccm_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, &
      |                                                                       1
Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:854:55:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                                                       1
Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:854:27:
  854 |    real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6)
      |                           1
Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:18:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                  1
Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:21:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                     1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:34:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                                  1
Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:30:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                              1
Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:843:25:
  843 |    real(wp) dx,dy,dz,s00r,s00l,s00,alpj
      |                         1
Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:15:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |               1
Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:855:22:
  855 |    real(wp) sstmp(6,6) !TESTST
      |                      1
Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:36:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                    1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:42:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                                          1
Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:27:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:30:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                              1
Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:33:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                 1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:36:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                                    1
Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:16:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                1
Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:21:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                     1
Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:26:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                          1
Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:842:31:
  842 |    real(wp) tmp1,tmp2,tmp3,tmp4,step,step2
      |                               1
Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:844:24:
  844 |    real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est
      |                        1
Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:693:17:
  693 |    integer :: i,j,k,wsAt
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:693:19:
  693 |    integer :: i,j,k,wsAt
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:700:19:
  700 |    real(wp) :: r2,r,dr,rab
      |                   1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:700:17:
  700 |    real(wp) :: r2,r,dr,rab
      |                 1
Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:693:24:
  693 |    integer :: i,j,k,wsAt
      |                        1
Warning: Unused variable ‘wsat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:624:26:
  624 |    real(wp) :: ri(3),dr(3)
      |                          1
Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:623:17:
  623 |    integer :: iat,jat,ati,atj
      |                 1
Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:623:21:
  623 |    integer :: iat,jat,ati,atj
      |                     1
Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:622:19:
  622 |    integer :: i,j,k,lin
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:622:23:
  622 |    integer :: i,j,k,lin
      |                       1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:624:20:
  624 |    real(wp) :: ri(3),dr(3)
      |                    1
Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:634:27:
  634 |    integer  :: latrep(3),tx,ty,tz,itr
      |                           1
Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:634:30:
  634 |    integer  :: latrep(3),tx,ty,tz,itr
      |                              1
Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:634:33:
  634 |    integer  :: latrep(3),tx,ty,tz,itr
      |                                 1
Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:43:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                                           1
Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:194:51:
  194 |    real(wp),allocatable,dimension(:)         :: aux
      |                                                   1
Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:161:19:
  161 |    real(wp) :: den2
      |                   1
Warning: Unused variable ‘den2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:162:19:
  162 |    real(wp) :: den4
      |                   1
Warning: Unused variable ‘den4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:156:51:
  156 |    real(wp) , allocatable, dimension(:,:,:) :: dlcn
      |                                                   1
Warning: Unused variable ‘dlcn’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:134:18:
  134 |    real(wp) :: dum
      |                  1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:191:52:
  191 |    real(wp),allocatable,dimension(:)         :: ev_s
      |                                                    1
Warning: Unused variable ‘ev_s’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:136:16:
  136 |    logical :: ex
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:154:52:
  154 |    real(wp) , allocatable, dimension(:,:,:) :: grab0
      |                                                    1
Warning: Unused variable ‘grab0’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:46:57:
   46 |       (env,mol,wfn,basis,xtbData,gbsa,egap,et,prlevel,grd,ccm,acc,etot,gradient,sigma,res)
      |                                                         1
Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument]
../src/peeq_module.f90:157:51:
  157 |    real(wp),               dimension(2)     :: hbpi
      |                                                   1
Warning: Unused variable ‘hbpi’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:158:51:
  158 |    real(wp),               dimension(2)     :: hbpj
      |                                                   1
Warning: Unused variable ‘hbpj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:167:18:
  167 |    integer  :: ich
      |                  1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:127:16:
  127 |    integer :: il,jl
      |                1
Warning: Unused variable ‘il’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:192:52:
  192 |    integer                                   :: info
      |                                                    1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:19:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                   1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:127:19:
  127 |    integer :: il,jl
      |                   1
Warning: Unused variable ‘jl’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:163:19:
  163 |    real(wp) :: ken2
      |                   1
Warning: Unused variable ‘ken2’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:164:19:
  164 |    real(wp) :: ken4
      |                   1
Warning: Unused variable ‘ken4’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:46:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                                              1
Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:155:50:
  155 |    real(wp) , allocatable, dimension(:)     :: lcn
      |                                                  1
Warning: Unused variable ‘lcn’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:193:53:
  193 |    integer                                   :: lwork
      |                                                     1
Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:126:27:
  126 |    integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk
      |                           1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:166:17:
  166 |    integer  :: nh
      |                 1
Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:165:18:
  165 |    integer  :: nhb
      |                  1
Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:153:51:
  153 |    real(wp) , allocatable, dimension(:)     :: rab0
      |                                                   1
Warning: Unused variable ‘rab0’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:117:23:
  117 |    integer :: rep_cn(3)
      |                       1
Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:190:52:
  190 |    real(wp),allocatable,dimension(:,:)       :: Stmp
      |                                                    1
Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable]
../src/peeq_module.f90:195:22:
  195 |    real(wp) :: test(1)
      |                      1
Warning: Unused variable ‘test’ declared at (1) [-Wunused-variable]
[467/541] true
[468/541] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ lib_xtb.a.p/symmetry_symmetry_i.c.o -MF lib_xtb.a.p/symmetry_symmetry_i.c.o.d -o lib_xtb.a.p/symmetry_symmetry_i.c.o -c ../symmetry/symmetry_i.c
../symmetry/symmetry_i.c: In function ‘optimize_transformation_params’:
../symmetry/symmetry_i.c:554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  554 |     if( cycle >= MaxOptCycles )
      |     ^~
../symmetry/symmetry_i.c:556:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  556 |         printf( "        optimization completed after %d cycles with f = %g\n", cycle, f ) ;
      |         ^~~~~~
../symmetry/symmetry_i.c: In function ‘init_axis_parameters’:
../symmetry/symmetry_i.c:1055:12: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 1055 |     else if( axis->direction[1] <= 0 )
      |            ^
../symmetry/symmetry_i.c:1052:3: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 1052 | if( axis->direction[0] <= 0 )
      |   ^
../symmetry/symmetry_i.c: In function ‘find_improper_axes’:
../symmetry/symmetry_i.c:1409:1: warning: multi-line comment [-Wcomment]
 1409 | //#pragma omp parallel for private(i,j,k, axis) \
      | ^
../symmetry/symmetry_i.c: In function ‘identify_point_group’:
../symmetry/symmetry_i.c:1691:14: warning: unused variable ‘j’ [-Wunused-variable]
 1691 |  int         j ;
      |              ^
[469/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_calculator.f90.o -c ../src/xtb/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/xtb/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/xtb/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/xtb/calculator.f90:284:47:
  284 | subroutine print_gfn2_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:265:47:
  265 | subroutine print_gfn1_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:248:53:
  248 | subroutine print_gfn0_results(iunit,res,verbose,lsolv)
      |                                                     1
Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:248:47:
  248 | subroutine print_gfn0_results(iunit,res,verbose,lsolv)
      |                                               1
Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument]
../src/xtb/calculator.f90:137:19:
  137 |    logical :: inmol
      |                   1
Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable]
../src/xtb/calculator.f90:135:25:
  135 |    integer :: mode_sp_run = 1
      |                         1
Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable]
[470/541] true
[471/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_environment.f90.o -c ../src/api/environment.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/environment.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/api/environment.f90:185:43:
  185 | subroutine setVerbosity_api(venv, verbosity) &
      |                                           1
Warning: Variable ‘verbosity’ at (1) is a dummy argument of the BIND(C) procedure ‘setverbosity_api’ but may not be C interoperable [-Wc-binding-type]
../src/api/environment.f90: In function ‘xtb_checkEnvironment’:
../src/api/environment.f90:99:33: warning: ‘status’ may be used uninitialized in this function [-Wmaybe-uninitialized]
   99 | end function checkEnvironment_api
      |                                 ^
../src/api/environment.f90:80:50: note: ‘status’ was declared here
   80 | function checkEnvironment_api(venv) result(status) &
      |                                                  ^
[472/541] true
[473/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_molecule.f90.o -c ../src/api/molecule.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/molecule.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/api/molecule.f90:121:28:
  121 |    real(wp) :: latvecs(3, 3)
      |                            1
Warning: Unused variable ‘latvecs’ declared at (1) [-Wunused-variable]
[474/541] true
[475/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_setup.f90.o -c ../src/main/setup.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/setup.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/setup.f90:228:33:
  228 |    type(TxTBParameter) :: globpar
      |                                 1
Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable]
../src/main/setup.f90:230:26:
  230 |    logical :: exist, okbas
      |                          1
Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable]
[476/541] true
[477/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_defaults.f90.o -c ../src/main/defaults.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/defaults.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/defaults.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[478/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_results.f90.o -c ../src/api/results.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/results.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/results.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[479/541] true
[480/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_calculator.f90.o -c ../src/api/calculator.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[481/541] true
[482/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_interface.f90.o -c ../src/api/interface.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/api/interface.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/api/interface.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[483/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_hessian.F90.o -c ../src/hessian.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
../src/hessian.F90:1316:28:
 1316 |    character(len=5)  :: adum
      |                            1
Warning: Unused variable ‘adum’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:43:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                                           1
Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:45:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                                             1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/hessian.F90:689:11:
  689 |       & env,mol,hbias)
      |           1
Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument]
../src/hessian.F90:715:19:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                   1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:21:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/hessian.F90:715:23:
  715 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b
      |                       1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/hessian.F90:75:43:
   75 |    real(wp) :: sum1,sum2,trdip(3),dipole(3)
      |                                           1
Warning: Unused variable ‘dipole’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:46:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                                              1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:42:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                                          1
Warning: Unused variable ‘dumi’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:19:
   74 |    real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298
      |                   1
Warning: Unused variable ‘dumj’ declared at (1) [-Wunused-variable]
../src/hessian.F90:62:20:
   62 |    real(wp) :: ebias
      |                    1
Warning: Unused variable ‘ebias’ declared at (1) [-Wunused-variable]
../src/hessian.F90:108:17:
  108 |    integer :: err
      |                 1
Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable]
../src/hessian.F90:25:28:
   25 |       & egap,et,maxiter,etot,gr,sr,res)
      |                            1
Warning: Unused dummy argument ‘etot’ at (1) [-Wunused-dummy-argument]
../src/hessian.F90:106:16:
  106 |    logical :: ex,rd
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/hessian.F90:109:46:
  109 |    character(len=:),allocatable :: hname,fname
      |                                              1
Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:59:
   74 |    real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298
      |                                                           1
Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable]
../src/hessian.F90:74:54:
   74 |    real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298
      |                                                      1
Warning: Unused variable ‘hof’ declared at (1) [-Wunused-variable]
../src/hessian.F90:107:17:
  107 |    integer :: ich ! file handle
      |                 1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
../src/hessian.F90:78:33:
   78 |    integer  :: nread,kend,lowmode
      |                                 1
Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable]
../src/hessian.F90:78:20:
   78 |    integer  :: nread,kend,lowmode
      |                    1
Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable]
../src/hessian.F90:77:59:
   77 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj
      |                                                           1
Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:21:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                     1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/hessian.F90:77:62:
   77 |    integer  :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj
      |                                                              1
Warning: Unused variable ‘rj’ declared at (1) [-Wunused-variable]
../src/hessian.F90:75:19:
   75 |    real(wp) :: sum1,sum2,trdip(3),dipole(3)
      |                   1
Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable]
../src/hessian.F90:76:23:
   76 |    real(wp) :: trpol(3),sl(3,3)
      |                       1
Warning: Unused variable ‘trpol’ declared at (1) [-Wunused-variable]
../src/hessian.F90:73:31:
   73 |    real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum
      |                               1
Warning: Unused variable ‘zpve’ declared at (1) [-Wunused-variable]
../src/hessian.F90: In function ‘__xtb_hessian_MOD_distort’:
../src/hessian.F90:821:17: warning: ‘xyz2.offset’ is used uninitialized in this function [-Wuninitialized]
  821 |    xyz2 = mol%xyz
      |                 ^
../src/hessian.F90:821:17: warning: ‘xyz2.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:821:17: warning: ‘xyz2.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:821:17: warning: ‘xyz2.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized]
../src/hessian.F90:821:17: warning: ‘xyz2.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized]
[484/541] true
[485/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_optimizer.f90.o -c ../src/optimizer.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/optimizer.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/optimizer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/optimizer.f90:483:20:
  483 |    parameter (r4dum=1.e-8)
      |                    1
Warning: Change of value in conversion from ‘REAL(8)’ to ‘REAL(4)’ at (1) [-Wconversion]
../src/optimizer.f90:627:28:
  627 |    Aaug(1:npvar)          = anc%hess
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:628:28:
  628 |    Aaug(npvar+1:npvar1-1) = gint
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:638:17:
  638 |          Uaug  = Uaug/dsnrm
      |                 1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/optimizer.f90:975:16:
  975 |    integer  :: i
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:743:19:
  743 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:715:19:
  715 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:475:33:
  475 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                                 1
Warning: Unused variable ‘dnorm’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:476:33:
  476 |    real(wp) :: depred,echng,dummy,maxd,alp,gchng,smallreal,gnold
      |                                 1
Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:16:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:52:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                                    1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:43:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                           1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:27:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                           1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:30:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                              1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:475:21:
  475 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                     1
Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:37:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                     1
Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:473:46:
  473 |    integer  :: i, j, ii, jj, k, lwork, info, m, idum, imax(3)
      |                                              1
Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:49:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                 1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:55:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                       1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:52:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                    1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:474:58:
  474 |    real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1
      |                                                          1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:475:48:
  475 |    real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in
      |                                                1
Warning: Unused variable ‘xdum’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:26:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                          1
Warning: Unused variable ‘amu2au’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:32:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                                1
Warning: Unused variable ‘au2cm’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:155:33:
  155 |    real(wp),allocatable :: aux(:)
      |                                 1
Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:152:34:
  152 |    real(wp),allocatable :: b (:,:)
      |                                  1
Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:47:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                                               1
Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:57:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                                                         1
Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:131:18:
  131 |    real(wp) :: eel
      |                  1
Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:45:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                             1
Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:156:34:
  156 |    real(wp),allocatable :: hess(:)
      |                                  1
Warning: Unused variable ‘hess’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:38:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                      1
Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:32:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                1
Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:44:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                            1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:52:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                                    1
Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:147:53:
  147 |    integer  :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii
      |                                                     1
Warning: Unused variable ‘itry’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:157:35:
  157 |    integer, allocatable :: iwork(:)
      |                                   1
Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:41:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                         1
Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:35:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                   1
Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:47:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                                               1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:29:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                             1
Warning: Unused variable ‘jjj’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:25:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                         1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:146:17:
  146 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork
      |                 1
Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:147:30:
  147 |    integer  :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii
      |                              1
Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:141:27:
  141 |    type(scc_results) :: res
      |                           1
Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:56:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                        1
Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:144:19:
  144 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb
      |                   1
Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:62:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                              1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:59:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                           1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:158:36:
  158 |    integer, allocatable :: totsym(:)
      |                                    1
Warning: Unused variable ‘totsym’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:68:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                                    1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/optimizer.f90:145:65:
  145 |    real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                                                 1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
[486/541] true
[487/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_property.f90.o -c ../src/main/property.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/main/property.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/main/property.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/main/property.f90:1177:27:
 1177 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                           1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/main/property.f90:1177:25:
 1177 |    real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom
      |                         1
Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable]
../src/main/property.f90:981:25:
  981 |    logical linear,atom,da
      |                         1
Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:36:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                    1
Warning: Unused variable ‘fswitch’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:42:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                          1
Warning: Unused variable ‘lnq_r’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:48:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                                                1
Warning: Unused variable ‘lnq_v’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:28:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                            1
Warning: Unused variable ‘maxfreq’ declared at (1) [-Wunused-variable]
../src/main/property.f90:969:26:
  969 |    integer nn,nvib,i,j,k,n,nvib_theo,isthr
      |                          1
Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable]
../src/main/property.f90:969:13:
  969 |    integer nn,nvib,i,j,k,n,nvib_theo,isthr
      |             1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/main/property.f90:967:20:
  967 |    real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v
      |                    1
Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable]
../src/main/property.f90:964:18:
  964 |    real(wp) xx(10),sthr,temp,scale_factor
      |                  1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/main/property.f90:886:48:
  886 | subroutine print_fod_population(iunit,ifile,n,at,sym,nao,S,C,etemp,emo,ihomoa, &
      |                                                1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:850:43:
  850 | subroutine print_spin_population(iunit,n,at,sym,nao,focca,foccb,S,C,aoat2,lao2)
      |                                           1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:807:34:
  807 | subroutine print_dipole(iunit,n,at,xyz,z,nao,P,dpint)
      |                                  1
Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:664:18:
  664 |    integer  :: i,j,k,nfrag
      |                  1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/property.f90:664:20:
  664 |    integer  :: i,j,k,nfrag
      |                    1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/property.f90:665:19:
  665 |    real(wp) :: xsum
      |                   1
Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable]
../src/main/property.f90:419:28:
  419 |    real(wp) :: etot,h298,dum
      |                            1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/main/property.f90:419:19:
  419 |    real(wp) :: etot,h298,dum
      |                   1
Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable]
../src/main/property.f90:419:24:
  419 |    real(wp) :: etot,h298,dum
      |                        1
Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable]
../src/main/property.f90:413:41:
  413 |    character(len=:),allocatable  :: hname
      |                                         1
Warning: Unused variable ‘hname’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:19:
  412 |    integer  :: i,ii,j,jj,k,l
      |                   1
Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:21:
  412 |    integer  :: i,ii,j,jj,k,l
      |                     1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:24:
  412 |    integer  :: i,ii,j,jj,k,l
      |                        1
Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:26:
  412 |    integer  :: i,ii,j,jj,k,l
      |                          1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/main/property.f90:412:28:
  412 |    integer  :: i,ii,j,jj,k,l
      |                            1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/main/property.f90:420:22:
  420 |    integer  :: lowmode
      |                      1
Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable]
../src/main/property.f90:286:18:
  286 |    real(wp) :: acc,intcut,neglect
      |                  1
Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable]
../src/main/property.f90:285:18:
  285 |    real(wp) :: dip,dipol(3)
      |                  1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/main/property.f90:285:27:
  285 |    real(wp) :: dip,dipol(3)
      |                           1
Warning: Unused variable ‘dipol’ declared at (1) [-Wunused-variable]
../src/main/property.f90:286:25:
  286 |    real(wp) :: acc,intcut,neglect
      |                         1
Warning: Unused variable ‘intcut’ declared at (1) [-Wunused-variable]
../src/main/property.f90:284:19:
  284 |    integer  :: ndim,ndp,nqp
      |                   1
Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable]
../src/main/property.f90:284:23:
  284 |    integer  :: ndim,ndp,nqp
      |                       1
Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:286:33:
  286 |    real(wp) :: acc,intcut,neglect
      |                                 1
Warning: Unused variable ‘neglect’ declared at (1) [-Wunused-variable]
../src/main/property.f90:284:27:
  284 |    integer  :: ndim,ndp,nqp
      |                           1
Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:246:33:
  246 |       (lverbose,mol,wfx,basis,res)
      |                                 1
Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument]
../src/main/property.f90:120:23:
  120 |    integer  :: ndim,ndp,nqp
      |                       1
Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:120:27:
  120 |    integer  :: ndim,ndp,nqp
      |                           1
Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable]
../src/main/property.f90:74:42:
   74 |       (iunit,env,mol,wfx,basis,xtbData,res,solvModel,acc)
      |                                          1
Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument]
[488/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_relaxation_engine.f90.o -c ../src/relaxation_engine.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/relaxation_engine.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/relaxation_engine.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/relaxation_engine.f90:956:24:
  956 |       Aaug(i*(1+i)/2) = 1.0_wp / hdiag(i)
      |                        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:958:28:
  958 |    Aaug(npvar+1:npvar1-1) = g_anc
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:589:21:
  589 |          hess(i,j) = hessp(ij)
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:590:21:
  590 |          hess(j,i) = hessp(ij)
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:630:35:
  630 |       where(abs(eig).gt.thr) eig = eig+damp
      |                                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion]
../src/relaxation_engine.f90:893:21:
  893 |    real(wp) :: depred
      |                     1
Warning: Unused variable ‘depred’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:887:20:
  887 |    integer :: i,j,ij
      |                    1
Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:887:17:
  887 |    integer :: i,j,ij
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:894:31:
  894 |    real(wp) :: max_displacement
      |                               1
Warning: Unused variable ‘max_displacement’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:780:22:
  780 |    integer :: lastiter
      |                      1
Warning: Unused variable ‘lastiter’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:191:19:
  191 |    real(wp) :: time
      |                   1
Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_inertial_relax’:
../src/relaxation_engine.f90:1265:70: warning: ‘lat_gnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1265 |                &       - lat_apar * lat_gradient/lat_gnorm * lat_speed
      |                                                                      ^
../src/relaxation_engine.f90:1267:71: warning: ‘lat_time_step’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1267 |                lat_time_step = min(lat_time_step * opt%finc, max_tstep)
      |                                                                       ^
../src/relaxation_engine.f90:1265:70: warning: ‘lat_apar’ may be used uninitialized in this function [-Wmaybe-uninitialized]
 1265 |                &       - lat_apar * lat_gradient/lat_gnorm * lat_speed
      |                                                                      ^
../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_l_ancopt’:
../src/relaxation_engine.f90:662:35: warning: ‘thr’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  662 |       if (k.ne.nvar) thr=thr*0.1_wp
      |                                   ^
[489/541] true
[490/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_geoopt_driver.f90.o -c ../src/geoopt_driver.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/geoopt_driver.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/geoopt_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[491/541] true
[492/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_mdoptim.f90.o -c ../src/mdoptim.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/mdoptim.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/mdoptim.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/mdoptim.f90:55:16:
   55 |    real(wp) :: e,angtoau
      |                1
Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:40:46:
   40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma)
      |                                              1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/mdoptim.f90:59:13:
   59 |    logical ex, fail
      |             1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:48:20:
   48 |    integer  :: icall,maxiter
      |                    1
Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:40:55:
   40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma)
      |                                                       1
Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument]
../src/mdoptim.f90:57:30:
   57 |    integer i,j,iz1,iz2,nall,ol
      |                              1
Warning: Unused variable ‘ol’ declared at (1) [-Wunused-variable]
../src/mdoptim.f90:52:27:
   52 |    type(scc_results) :: res
      |                           1
Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable]
[493/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_struc_converter.f90.o -c ../src/gfnff/struc_converter.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/gfnff/struc_converter.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/gfnff/struc_converter.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/gfnff/struc_converter.f90:127:13:
  127 |   md_hmass = hmass_in
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/gfnff/struc_converter.f90:26:38:
   26 |          & env,restart,mol,chk,egap,et,maxiter,maxcycle,&
      |                                      1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/gfnff/struc_converter.f90:68:54:
   68 |   logical                                     :: exist
      |                                                      1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../src/gfnff/struc_converter.f90:60:52:
   60 |   integer                                     :: ich
      |                                                    1
Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable]
[494/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_scan_driver.f90.o -c ../src/scan_driver.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/scan_driver.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/scan_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/scan_driver.f90:55:20:
   55 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
[495/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_getkopt.f90.o -c ../src/getkopt.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/getkopt.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/getkopt.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/getkopt.f90:112:43:
  112 |          & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,&
      |                                           1
Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument]
../src/getkopt.f90:132:53:
  132 |   integer                                     :: idum
      |                                                     1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../src/getkopt.f90:112:27:
  112 |          & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,&
      |                           1
Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument]
../src/getkopt.f90:41:27:
   41 |          & etot,g,sigma,acc)
      |                           1
Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument]
../src/getkopt.f90:67:53:
   67 |   logical                                     :: fail
      |                                                     1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../src/getkopt.f90:62:53:
   62 |   integer                                     :: idum
      |                                                     1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
[496/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_modef.f90.o -c ../src/modef.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/modef.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/modef.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/modef.f90:98:7:
   98 |    tag=365*val(1) + 30.5*val(2) + val(3) ! actual date
      |       1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/modef.f90:561:15:
  561 |    integer n3,i,nprj
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:34:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                  1
Warning: Unused variable ‘aa1’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:46:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                              1
Warning: Unused variable ‘aa2’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:38:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                      1
Warning: Unused variable ‘bb1’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:50:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                                  1
Warning: Unused variable ‘bb2’ declared at (1) [-Wunused-variable]
../src/modef.f90:67:71:
   67 |    real(wp),allocatable:: coord0(:,:), displ(:), xyzmin(:,:), bmat(:,:)
      |                                                                       1
Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:42:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                          1
Warning: Unused variable ‘cc1’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:54:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                                      1
Warning: Unused variable ‘cc2’ declared at (1) [-Wunused-variable]
../src/modef.f90:71:68:
   71 |    real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3)
      |                                                                    1
Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable]
../src/modef.f90:59:19:
   59 |    integer :: icall,maxiter
      |                   1
Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable]
../src/modef.f90:74:36:
   74 |    integer :: m,ifind,isave,imod,kkk,minpos,tag,n36
      |                                    1
Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable]
../src/modef.f90:74:51:
   74 |    integer :: m,ifind,isave,imod,kkk,minpos,tag,n36
      |                                                   1
Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable]
../src/modef.f90:80:31:
   80 |    logical :: ex,fail,vecupdate,scfonly,ldum,intermol
      |                               1
Warning: Unused variable ‘vecupdate’ declared at (1) [-Wunused-variable]
[497/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_screening.f90.o -c ../src/screening.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/screening.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/screening.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/screening.f90:222:2:
  222 | 99 write(*,*)
      |  1
Warning: Label 99 at (1) defined but not used [-Wunused-label]
../src/screening.f90:83:11:
   83 |       nall=ntemp_siman*time_md*1000/50  ! number of qmdff write outs
      |           1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../src/screening.f90:279:22:
  279 |    integer  :: i,j,k,l,m,ndum,nstep,dumpstep
      |                      1
Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable]
../src/screening.f90:279:35:
  279 |    integer  :: i,j,k,l,m,ndum,nstep,dumpstep
      |                                   1
Warning: Unused variable ‘nstep’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:32:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                                1
Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable]
../src/screening.f90:71:23:
   71 |    logical :: checkrmsd
      |                       1
Warning: Unused variable ‘checkrmsd’ declared at (1) [-Wunused-variable]
../src/screening.f90:65:27:
   65 |    real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss
      |                           1
Warning: Unused variable ‘dens’ declared at (1) [-Wunused-variable]
../src/screening.f90:70:55:
   70 |    logical :: fail,equalrot2,ohbonded,include_enan,enan,ex
      |                                                       1
Warning: Unused variable ‘enan’ declared at (1) [-Wunused-variable]
../src/screening.f90:65:22:
   65 |    real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss
      |                      1
Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:24:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                        1
Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:27:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                           1
Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable]
../src/screening.f90:49:16:
   49 |    integer icall,maxiter
      |                1
Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:19:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:39:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                                       1
Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:53:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                                                     1
Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable]
../src/screening.f90:67:43:
   67 |    integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev
      |                                           1
Warning: Unused variable ‘nst’ declared at (1) [-Wunused-variable]
../src/screening.f90:68:24:
   68 |    integer :: nall,ntemp,ncnf1,icyc,maxoptiter
      |                        1
Warning: Unused variable ‘ntemp’ declared at (1) [-Wunused-variable]
../src/screening.f90:70:37:
   70 |    logical :: fail,equalrot2,ohbonded,include_enan,enan,ex
      |                                     1
Warning: Unused variable ‘ohbonded’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:23:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                       1
Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable]
../src/screening.f90:59:34:
   59 |    real(wp),allocatable :: rmat(:),eread(:)
      |                                  1
Warning: Unused variable ‘rmat’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:28:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                            1
Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable]
../src/screening.f90:66:21:
   66 |    real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum
      |                     1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
[498/541] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jlib_xtb.a.p -o lib_xtb.a.p/src_bias_path.f90.o -c ../src/bias_path.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/bias_path.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/bias_path.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/bias_path.f90:862:31:
  862 |    real(wp)              :: dum, ddot
      |                               1
Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:863:31:
  863 |    integer               :: i,j,k,l
      |                               1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:852:34:
  852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr)
      |                                  1
Warning: Unused dummy argument ‘xyz0’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:852:39:
  852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr)
      |                                       1
Warning: Unused dummy argument ‘xyz1’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:770:17:
  770 |    real(wp) fs_x0,fs_x1,fss_x0,fss_x1
      |                 1
Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:770:23:
  770 |    real(wp) fs_x0,fs_x1,fss_x0,fss_x1
      |                       1
Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:776:17:
  776 |    integer :: i,j,nf
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:14:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |              1
Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:17:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                 1
Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:20:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                    1
Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:23:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                       1
Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:26:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                          1
Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:771:29:
  771 |    real(wp) x0,x1,x2,y0,y1,y2
      |                             1
Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:602:28:
  602 |    real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3)
      |                            1
Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:602:43:
  602 |    real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3)
      |                                           1
Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:564:43:
  564 |    real(wp), allocatable, dimension(:) :: v
      |                                           1
Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:525:15:
  525 |    integer :: i,j,k
      |               1
Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:526:25:
  526 |    integer :: modef, idat
      |                         1
Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:514:34:
  514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull)
      |                                  1
Warning: Unused dummy argument ‘its’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:525:17:
  525 |    integer :: i,j,k
      |                 1
Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:525:19:
  525 |    integer :: i,j,k
      |                   1
Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:526:19:
  526 |    integer :: modef, idat
      |                   1
Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:524:36:
  524 |    real(wp), allocatable :: pvec1(:), pvec2(:)
      |                                    1
Warning: Unused variable ‘pvec1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:524:46:
  524 |    real(wp), allocatable :: pvec1(:), pvec2(:)
      |                                              1
Warning: Unused variable ‘pvec2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:514:42:
  514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull)
      |                                          1
Warning: Unused dummy argument ‘xyzpath’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:88:18:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                  1
Warning: Unused variable ‘de_min’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:49:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                 1
Warning: Unused variable ‘distort’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:42:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                          1
Warning: Unused variable ‘drms’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:55:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                                       1
Warning: Unused variable ‘dum0’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:50:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                                  1
Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:88:32:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                                1
Warning: Unused variable ‘e_ed’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:88:37:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                                     1
Warning: Unused variable ‘e_pr’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:86:57:
   86 |    real(wp) fnat,rmsd_prod_thr,alp_change,k_change,edrmsd,ppull
      |                                                         1
Warning: Unused variable ‘edrmsd’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:30:65:
   30 | subroutine bias_path(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma)
      |                                                                 1
Warning: Unused dummy argument ‘epot’ at (1) [-Wunused-dummy-argument]
../src/bias_path.f90:91:18:
   91 |    logical fail,ex,done,degen
      |                  1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:47:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                               1
Warning: Unused variable ‘gnew’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:55:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                       1
Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:88:27:
   88 |    real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr
      |                           1
Warning: Unused variable ‘grad_min’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:82:26:
   82 |    integer ilog,ilog2,idat ! file handle
      |                          1
Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:80:60:
   80 |    integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath
      |                                                            1
Warning: Unused variable ‘maxcycle’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:81:28:
   81 |    integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100)
      |                            1
Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:80:22:
   80 |    integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath
      |                      1
Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:84:66:
   84 |    real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2
      |                                                                  1
Warning: Unused variable ‘rms2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:80:32:
   80 |    integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath
      |                                1
Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:23:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                       1
Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:64:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                                1
Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:81:48:
   81 |    integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100)
      |                                                1
Warning: Unused variable ‘tsmodeav’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:71:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                                       1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:74:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                                                                          1
Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:17:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                 1
Warning: Unused variable ‘x3’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:85:30:
   85 |    real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2
      |                              1
Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable]
../src/bias_path.f90:665:28:
  665 | subroutine cqpath_repos_asym(n,x1,x2)
      |                            ^
Warning: ‘cqpath_repos_asym’ defined but not used [-Wunused-function]
../src/bias_path.f90:698:29:
  698 | subroutine cqpath_cube_spline(n,x,y,x2,y2)
      |                             ^
Warning: ‘cqpath_cube_spline’ defined but not used [-Wunused-function]
../src/bias_path.f90:852:20:
  852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr)
      |                    ^
Warning: ‘cleanpath’ defined but not used [-Wunused-function]
../src/bias_path.f90: In function ‘__xtb_biaspath_MOD_bias_path’:
../src/bias_path.f90:746:20: warning: ‘y_wert’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  746 |       y2(i) = y_wert
      |                    ^
../src/bias_path.f90:737:18: note: ‘y_wert’ was declared here
  737 |    real(wp) y_wert
      |                  ^
[499/541] rm -f lib_xtb.a && gcc-ar csrD lib_xtb.a lib_xtb.a.p/src_api_calculator.f90.o lib_xtb.a.p/src_api_environment.f90.o lib_xtb.a.p/src_api_molecule.f90.o lib_xtb.a.p/src_api_interface.f90.o lib_xtb.a.p/src_api_results.f90.o lib_xtb.a.p/src_api_utils.f90.o lib_xtb.a.p/src_api_version.f90.o lib_xtb.a.p/src_coulomb_ewald.f90.o lib_xtb.a.p/src_coulomb_gaussian.f90.o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o lib_xtb.a.p/src_disp_coordinationnumber.f90.o lib_xtb.a.p/src_disp_dftd3.f.o lib_xtb.a.p/src_disp_dftd3.f90.o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o lib_xtb.a.p/src_disp_dftd4.f90.o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o lib_xtb.a.p/src_disp_encharges.f90.o lib_xtb.a.p/src_disp_ncoord.f90.o lib_xtb.a.p/src_extern_mopac.f90.o lib_xtb.a.p/src_extern_orca.f90.o lib_xtb.a.p/src_extern_turbomole.f90.o lib_xtb.a.p/src_freq_project.f90.o lib_xtb.a.p/src_freq_utils.f90.o lib_xtb.a.p/src_gfnff_calculator.f90.o lib_xtb.a.p/src_gfnff_data.f90.o lib_xtb.a.p/src_gfnff_frag_hess.f90.o lib_xtb.a.p/src_gfnff_gdisp0.f90.o lib_xtb.a.p/src_gfnff_generator.f90.o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini2.f90.o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o lib_xtb.a.p/src_gfnff_math.f.o lib_xtb.a.p/src_gfnff_mrec.f90.o lib_xtb.a.p/src_gfnff_shake_module.f90.o lib_xtb.a.p/src_gfnff_struc_converter.f90.o lib_xtb.a.p/src_gfnff_topology.f90.o lib_xtb.a.p/src_io_reader_ctfile.f90.o lib_xtb.a.p/src_io_reader_gaussian.f90.o lib_xtb.a.p/src_io_reader_genformat.f90.o lib_xtb.a.p/src_io_reader_pdb.f90.o lib_xtb.a.p/src_io_reader_turbomole.f90.o lib_xtb.a.p/src_io_reader_vasp.f90.o lib_xtb.a.p/src_io_reader_xyz.f90.o lib_xtb.a.p/src_io_writer_ctfile.f90.o lib_xtb.a.p/src_io_writer_gaussian.f90.o lib_xtb.a.p/src_io_writer_genformat.f90.o lib_xtb.a.p/src_io_writer_orca.f90.o lib_xtb.a.p/src_io_writer_pdb.f90.o lib_xtb.a.p/src_io_writer_turbomole.f90.o lib_xtb.a.p/src_io_writer_vasp.f90.o lib_xtb.a.p/src_io_writer_xyz.f90.o lib_xtb.a.p/src_io_reader.f90.o lib_xtb.a.p/src_io_writer.f90.o lib_xtb.a.p/src_main_defaults.f90.o lib_xtb.a.p/src_main_geometry.f90.o lib_xtb.a.p/src_main_json.f90.o lib_xtb.a.p/src_main_property.f90.o lib_xtb.a.p/src_main_setup.f90.o lib_xtb.a.p/src_mctc_blas_level1.f90.o lib_xtb.a.p/src_mctc_blas_level2.f90.o lib_xtb.a.p/src_mctc_blas_level3.f90.o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o lib_xtb.a.p/src_mctc_lapack_eigensolve.f90.o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o lib_xtb.a.p/src_mctc_lapack_gst.f90.o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o lib_xtb.a.p/src_mctc_lapack_trf.f90.o lib_xtb.a.p/src_mctc_lapack_tri.f90.o lib_xtb.a.p/src_mctc_lapack_trs.f90.o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o lib_xtb.a.p/src_mctc_accuracy.f90.o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o lib_xtb.a.p/src_mctc_chartools.f90.o lib_xtb.a.p/src_mctc_convert.f90.o lib_xtb.a.p/src_mctc_filetypes.f90.o lib_xtb.a.p/src_mctc_io.f90.o lib_xtb.a.p/src_mctc_math.f90.o lib_xtb.a.p/src_mctc_namegen.f90.o lib_xtb.a.p/src_mctc_resize.f90.o lib_xtb.a.p/src_mctc_runtypes.f90.o lib_xtb.a.p/src_mctc_search.f90.o lib_xtb.a.p/src_mctc_sort.f90.o lib_xtb.a.p/src_mctc_symbols.f90.o lib_xtb.a.p/src_mctc_systools.F90.o lib_xtb.a.p/src_mctc_thresholds.f90.o lib_xtb.a.p/src_mctc_version.f90.o lib_xtb.a.p/src_mctc_mctc_global.f90.o lib_xtb.a.p/src_mctc_mctc_strings.f90.o lib_xtb.a.p/src_mctc_mctc_constants.f90.o lib_xtb.a.p/src_mctc_mctc_param.f90.o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o lib_xtb.a.p/src_mctc_param_chemical_hardnesses.f90.o lib_xtb.a.p/src_mctc_param_covalent_radii.f90.o lib_xtb.a.p/src_mctc_param_electronegativities.f90.o lib_xtb.a.p/src_mctc_param_pse.f90.o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o lib_xtb.a.p/src_mctc_mctc_timings.f90.o lib_xtb.a.p/src_mctc_mctc_filetools.f90.o lib_xtb.a.p/src_mctc_linalg.f90.o lib_xtb.a.p/src_mctc_lapack.f90.o lib_xtb.a.p/src_mctc_blas.f90.o lib_xtb.a.p/src_mctc_mctc_init.f90.o lib_xtb.a.p/src_mctc_error.f90.o lib_xtb.a.p/src_mctc_signal.c.o lib_xtb.a.p/src_param_atomicmass.f90.o lib_xtb.a.p/src_param_atomicrad.f90.o lib_xtb.a.p/src_param_covalentradd3.f90.o lib_xtb.a.p/src_param_paulingen.f90.o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o lib_xtb.a.p/src_param_vdwradd3.f90.o lib_xtb.a.p/src_type_anc.f90.o lib_xtb.a.p/src_type_atomlist.f90.o lib_xtb.a.p/src_type_basisset.f90.o lib_xtb.a.p/src_type_buffer.f90.o lib_xtb.a.p/src_type_calculator.f90.o lib_xtb.a.p/src_type_coulomb.f90.o lib_xtb.a.p/src_type_data.f90.o lib_xtb.a.p/src_type_dispersion_model.f90.o lib_xtb.a.p/src_type_dummycalc.f90.o lib_xtb.a.p/src_type_environment.f90.o lib_xtb.a.p/src_type_fragments.f90.o lib_xtb.a.p/src_type_identitymap.f90.o lib_xtb.a.p/src_type_iohandler.f90.o lib_xtb.a.p/src_type_molecule.f90.o lib_xtb.a.p/src_type_neighbourlist.f90.o lib_xtb.a.p/src_type_latticepoint.f90.o lib_xtb.a.p/src_type_options.f90.o lib_xtb.a.p/src_type_param.f90.o lib_xtb.a.p/src_type_pcem.f90.o lib_xtb.a.p/src_type_reader.F90.o lib_xtb.a.p/src_type_restart.f90.o lib_xtb.a.p/src_type_setvar.f90.o lib_xtb.a.p/src_type_solvation.f90.o lib_xtb.a.p/src_type_timer.f90.o lib_xtb.a.p/src_type_topology.f90.o lib_xtb.a.p/src_type_wavefunction.f90.o lib_xtb.a.p/src_type_wignerseitzcell.f90.o lib_xtb.a.p/src_type_wsc.f90.o lib_xtb.a.p/src_type_vendordata.f90.o lib_xtb.a.p/src_solv_born.f90.o lib_xtb.a.p/src_solv_cm5.f90.o lib_xtb.a.p/src_solv_gbsa.f90.o lib_xtb.a.p/src_solv_input.F90.o lib_xtb.a.p/src_solv_kernel.f90.o lib_xtb.a.p/src_solv_lebedev.f90.o lib_xtb.a.p/src_solv_model.f90.o lib_xtb.a.p/src_solv_sasa.f90.o lib_xtb.a.p/src_solv_state.f90.o lib_xtb.a.p/src_xtb_basisset.f90.o lib_xtb.a.p/src_xtb_calculator.f90.o lib_xtb.a.p/src_xtb_coulomb.f90.o lib_xtb.a.p/src_xtb_data.f90.o lib_xtb.a.p/src_xtb_dispersion.f90.o lib_xtb.a.p/src_xtb_eeq.f90.o lib_xtb.a.p/src_xtb_gfn0.f90.o lib_xtb.a.p/src_xtb_gfn1.f90.o lib_xtb.a.p/src_xtb_gfn2.f90.o lib_xtb.a.p/src_xtb_halogen.f90.o lib_xtb.a.p/src_xtb_hamiltonian.f90.o lib_xtb.a.p/src_xtb_multipole.f90.o lib_xtb.a.p/src_xtb_repulsion.f90.o lib_xtb.a.p/src_xtb_thirdorder.f90.o lib_xtb.a.p/src_aespot.f90.o lib_xtb.a.p/src_anharmlib.f90.o lib_xtb.a.p/src_aoparam.f90.o lib_xtb.a.p/src_approxrab.f90.o lib_xtb.a.p/src_axis_trafo.f90.o lib_xtb.a.p/src_basic_geo.f90.o lib_xtb.a.p/src_bfgs.f90.o lib_xtb.a.p/src_bias_path.f90.o lib_xtb.a.p/src_blowsy.f90.o lib_xtb.a.p/src_broyden.f90.o lib_xtb.a.p/src_charge_model.f90.o lib_xtb.a.p/src_coffee.f90.o lib_xtb.a.p/src_constrain_param.f90.o lib_xtb.a.p/src_constrain_pot.f90.o lib_xtb.a.p/src_constr.f90.o lib_xtb.a.p/src_cqpath.f90.o lib_xtb.a.p/src_cube.f90.o lib_xtb.a.p/src_david2.f90.o lib_xtb.a.p/src_david.f.o lib_xtb.a.p/src_define.f90.o lib_xtb.a.p/src_detrotra.f90.o lib_xtb.a.p/src_dipole.f90.o lib_xtb.a.p/src_drsp.f.o lib_xtb.a.p/src_dtrafo.f90.o lib_xtb.a.p/src_dynamic.f90.o lib_xtb.a.p/src_eeq_model.f90.o lib_xtb.a.p/src_elem.f90.o lib_xtb.a.p/src_embedding.f90.o lib_xtb.a.p/src_enso_printout.f90.o lib_xtb.a.p/src_eqrot.f90.o lib_xtb.a.p/src_esp.f.o lib_xtb.a.p/src_expire.f90.o lib_xtb.a.p/src_filetools.F90.o lib_xtb.a.p/src_fixparam.f90.o lib_xtb.a.p/src_foden.f90.o lib_xtb.a.p/src_fragment.f90.o lib_xtb.a.p/src_generate_wsc.f90.o lib_xtb.a.p/src_geoopt_driver.f90.o lib_xtb.a.p/src_geosum.f90.o lib_xtb.a.p/src_getkopt.f90.o lib_xtb.a.p/src_getname.f90.o lib_xtb.a.p/src_getsymnum.f90.o lib_xtb.a.p/src_gfn0param.f90.o lib_xtb.a.p/src_gfn_paramset.f90.o lib_xtb.a.p/src_gfn_prparam.f90.o lib_xtb.a.p/src_grad_core.f90.o lib_xtb.a.p/src_header.f90.o lib_xtb.a.p/src_hessian.F90.o lib_xtb.a.p/src_hlex.f90.o lib_xtb.a.p/src_ifind.f90.o lib_xtb.a.p/src_iniq.f90.o lib_xtb.a.p/src_intgrad.f90.o lib_xtb.a.p/src_intmodes.f90.o lib_xtb.a.p/src_intpack.f90.o lib_xtb.a.p/src_lidep.f90.o lib_xtb.a.p/src_lindh.f90.o lib_xtb.a.p/src_lin.f90.o lib_xtb.a.p/src_lin_mod.f90.o lib_xtb.a.p/src_local.f90.o lib_xtb.a.p/src_locmode.f90.o lib_xtb.a.p/src_lopt.f90.o lib_xtb.a.p/src_ls_rmsd.f90.o lib_xtb.a.p/src_makel.f90.o lib_xtb.a.p/src_matinv.f90.o lib_xtb.a.p/src_mdoptim.f90.o lib_xtb.a.p/src_metadynamic.f90.o lib_xtb.a.p/src_modef.f90.o lib_xtb.a.p/src_model_hessian.f90.o lib_xtb.a.p/src_neighbor.f90.o lib_xtb.a.p/src_onetri.f90.o lib_xtb.a.p/src_optimizer.f90.o lib_xtb.a.p/src_pbc.f90.o lib_xtb.a.p/src_pbc_tools.f90.o lib_xtb.a.p/src_peeq_module.f90.o lib_xtb.a.p/src_pocketscan.f90.o lib_xtb.a.p/src_pqn.f90.o lib_xtb.a.p/src_printmold.f90.o lib_xtb.a.p/src_printout.f90.o lib_xtb.a.p/src_prmat.f90.o lib_xtb.a.p/src_pseudodiag.f90.o lib_xtb.a.p/src_qmdff.f90.o lib_xtb.a.p/src_qpot.f90.o lib_xtb.a.p/src_qsort.f90.o lib_xtb.a.p/src_rdcoord2.f90.o lib_xtb.a.p/src_read_gfn_param.f90.o lib_xtb.a.p/src_readin.f90.o lib_xtb.a.p/src_readl2.f90.o lib_xtb.a.p/src_readl.f90.o lib_xtb.a.p/src_relaxation_engine.f90.o lib_xtb.a.p/src_restart.f90.o lib_xtb.a.p/src_rmrottr.f90.o lib_xtb.a.p/src_rmsd.f90.o lib_xtb.a.p/src_scan_driver.f90.o lib_xtb.a.p/src_scanparam.f90.o lib_xtb.a.p/src_scc_core.f90.o lib_xtb.a.p/src_scf_module.f90.o lib_xtb.a.p/src_screening.f90.o lib_xtb.a.p/src_set_module.f90.o lib_xtb.a.p/src_setparam.f90.o lib_xtb.a.p/src_shake_module.f90.o lib_xtb.a.p/src_shiftlp.f90.o lib_xtb.a.p/src_single.f90.o lib_xtb.a.p/src_slater.f90.o lib_xtb.a.p/src_sphereparam.f90.o lib_xtb.a.p/src_spline2.f90.o lib_xtb.a.p/src_spline3.f90.o lib_xtb.a.p/src_splitparam.f90.o lib_xtb.a.p/src_stm.f.o lib_xtb.a.p/src_surfac.f.o lib_xtb.a.p/src_symparam.f90.o lib_xtb.a.p/src_symtranslib.f90.o lib_xtb.a.p/src_thermo.f90.o lib_xtb.a.p/src_timing.f90.o lib_xtb.a.p/src_tmgrad.f90.o lib_xtb.a.p/src_topology.f90.o lib_xtb.a.p/src_wrbas.f90.o lib_xtb.a.p/src_wrgbw.f90.o lib_xtb.a.p/src_wrmodef.f90.o lib_xtb.a.p/src_wrmo.f90.o lib_xtb.a.p/src_xhelp.f90.o lib_xtb.a.p/src_zmatpr.f90.o lib_xtb.a.p/symmetry_symmetry.f90.o lib_xtb.a.p/symmetry_symmetry_i.c.o
[500/541] rm -f libxtb.a && gcc-ar csrD libxtb.a lib_xtb.a.p/src_api_calculator.f90.o lib_xtb.a.p/src_api_environment.f90.o lib_xtb.a.p/src_api_molecule.f90.o lib_xtb.a.p/src_api_interface.f90.o lib_xtb.a.p/src_api_results.f90.o lib_xtb.a.p/src_api_utils.f90.o lib_xtb.a.p/src_api_version.f90.o lib_xtb.a.p/src_coulomb_ewald.f90.o lib_xtb.a.p/src_coulomb_gaussian.f90.o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o lib_xtb.a.p/src_disp_coordinationnumber.f90.o lib_xtb.a.p/src_disp_dftd3.f.o lib_xtb.a.p/src_disp_dftd3.f90.o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o lib_xtb.a.p/src_disp_dftd4.f90.o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o lib_xtb.a.p/src_disp_encharges.f90.o lib_xtb.a.p/src_disp_ncoord.f90.o lib_xtb.a.p/src_extern_mopac.f90.o lib_xtb.a.p/src_extern_orca.f90.o lib_xtb.a.p/src_extern_turbomole.f90.o lib_xtb.a.p/src_freq_project.f90.o lib_xtb.a.p/src_freq_utils.f90.o lib_xtb.a.p/src_gfnff_calculator.f90.o lib_xtb.a.p/src_gfnff_data.f90.o lib_xtb.a.p/src_gfnff_frag_hess.f90.o lib_xtb.a.p/src_gfnff_gdisp0.f90.o lib_xtb.a.p/src_gfnff_generator.f90.o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini2.f90.o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o lib_xtb.a.p/src_gfnff_math.f.o lib_xtb.a.p/src_gfnff_mrec.f90.o lib_xtb.a.p/src_gfnff_shake_module.f90.o lib_xtb.a.p/src_gfnff_struc_converter.f90.o lib_xtb.a.p/src_gfnff_topology.f90.o lib_xtb.a.p/src_io_reader_ctfile.f90.o lib_xtb.a.p/src_io_reader_gaussian.f90.o lib_xtb.a.p/src_io_reader_genformat.f90.o lib_xtb.a.p/src_io_reader_pdb.f90.o lib_xtb.a.p/src_io_reader_turbomole.f90.o lib_xtb.a.p/src_io_reader_vasp.f90.o lib_xtb.a.p/src_io_reader_xyz.f90.o lib_xtb.a.p/src_io_writer_ctfile.f90.o lib_xtb.a.p/src_io_writer_gaussian.f90.o lib_xtb.a.p/src_io_writer_genformat.f90.o lib_xtb.a.p/src_io_writer_orca.f90.o lib_xtb.a.p/src_io_writer_pdb.f90.o lib_xtb.a.p/src_io_writer_turbomole.f90.o lib_xtb.a.p/src_io_writer_vasp.f90.o lib_xtb.a.p/src_io_writer_xyz.f90.o lib_xtb.a.p/src_io_reader.f90.o lib_xtb.a.p/src_io_writer.f90.o lib_xtb.a.p/src_main_defaults.f90.o lib_xtb.a.p/src_main_geometry.f90.o lib_xtb.a.p/src_main_json.f90.o lib_xtb.a.p/src_main_property.f90.o lib_xtb.a.p/src_main_setup.f90.o lib_xtb.a.p/src_mctc_blas_level1.f90.o lib_xtb.a.p/src_mctc_blas_level2.f90.o lib_xtb.a.p/src_mctc_blas_level3.f90.o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o lib_xtb.a.p/src_mctc_lapack_eigensolve.f90.o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o lib_xtb.a.p/src_mctc_lapack_gst.f90.o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o lib_xtb.a.p/src_mctc_lapack_trf.f90.o lib_xtb.a.p/src_mctc_lapack_tri.f90.o lib_xtb.a.p/src_mctc_lapack_trs.f90.o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o lib_xtb.a.p/src_mctc_accuracy.f90.o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o lib_xtb.a.p/src_mctc_chartools.f90.o lib_xtb.a.p/src_mctc_convert.f90.o lib_xtb.a.p/src_mctc_filetypes.f90.o lib_xtb.a.p/src_mctc_io.f90.o lib_xtb.a.p/src_mctc_math.f90.o lib_xtb.a.p/src_mctc_namegen.f90.o lib_xtb.a.p/src_mctc_resize.f90.o lib_xtb.a.p/src_mctc_runtypes.f90.o lib_xtb.a.p/src_mctc_search.f90.o lib_xtb.a.p/src_mctc_sort.f90.o lib_xtb.a.p/src_mctc_symbols.f90.o lib_xtb.a.p/src_mctc_systools.F90.o lib_xtb.a.p/src_mctc_thresholds.f90.o lib_xtb.a.p/src_mctc_version.f90.o lib_xtb.a.p/src_mctc_mctc_global.f90.o lib_xtb.a.p/src_mctc_mctc_strings.f90.o lib_xtb.a.p/src_mctc_mctc_constants.f90.o lib_xtb.a.p/src_mctc_mctc_param.f90.o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o lib_xtb.a.p/src_mctc_param_chemical_hardnesses.f90.o lib_xtb.a.p/src_mctc_param_covalent_radii.f90.o lib_xtb.a.p/src_mctc_param_electronegativities.f90.o lib_xtb.a.p/src_mctc_param_pse.f90.o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o lib_xtb.a.p/src_mctc_mctc_timings.f90.o lib_xtb.a.p/src_mctc_mctc_filetools.f90.o lib_xtb.a.p/src_mctc_linalg.f90.o lib_xtb.a.p/src_mctc_lapack.f90.o lib_xtb.a.p/src_mctc_blas.f90.o lib_xtb.a.p/src_mctc_mctc_init.f90.o lib_xtb.a.p/src_mctc_error.f90.o lib_xtb.a.p/src_mctc_signal.c.o lib_xtb.a.p/src_param_atomicmass.f90.o lib_xtb.a.p/src_param_atomicrad.f90.o lib_xtb.a.p/src_param_covalentradd3.f90.o lib_xtb.a.p/src_param_paulingen.f90.o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o lib_xtb.a.p/src_param_vdwradd3.f90.o lib_xtb.a.p/src_type_anc.f90.o lib_xtb.a.p/src_type_atomlist.f90.o lib_xtb.a.p/src_type_basisset.f90.o lib_xtb.a.p/src_type_buffer.f90.o lib_xtb.a.p/src_type_calculator.f90.o lib_xtb.a.p/src_type_coulomb.f90.o lib_xtb.a.p/src_type_data.f90.o lib_xtb.a.p/src_type_dispersion_model.f90.o lib_xtb.a.p/src_type_dummycalc.f90.o lib_xtb.a.p/src_type_environment.f90.o lib_xtb.a.p/src_type_fragments.f90.o lib_xtb.a.p/src_type_identitymap.f90.o lib_xtb.a.p/src_type_iohandler.f90.o lib_xtb.a.p/src_type_molecule.f90.o lib_xtb.a.p/src_type_neighbourlist.f90.o lib_xtb.a.p/src_type_latticepoint.f90.o lib_xtb.a.p/src_type_options.f90.o lib_xtb.a.p/src_type_param.f90.o lib_xtb.a.p/src_type_pcem.f90.o lib_xtb.a.p/src_type_reader.F90.o lib_xtb.a.p/src_type_restart.f90.o lib_xtb.a.p/src_type_setvar.f90.o lib_xtb.a.p/src_type_solvation.f90.o lib_xtb.a.p/src_type_timer.f90.o lib_xtb.a.p/src_type_topology.f90.o lib_xtb.a.p/src_type_wavefunction.f90.o lib_xtb.a.p/src_type_wignerseitzcell.f90.o lib_xtb.a.p/src_type_wsc.f90.o lib_xtb.a.p/src_type_vendordata.f90.o lib_xtb.a.p/src_solv_born.f90.o lib_xtb.a.p/src_solv_cm5.f90.o lib_xtb.a.p/src_solv_gbsa.f90.o lib_xtb.a.p/src_solv_input.F90.o lib_xtb.a.p/src_solv_kernel.f90.o lib_xtb.a.p/src_solv_lebedev.f90.o lib_xtb.a.p/src_solv_model.f90.o lib_xtb.a.p/src_solv_sasa.f90.o lib_xtb.a.p/src_solv_state.f90.o lib_xtb.a.p/src_xtb_basisset.f90.o lib_xtb.a.p/src_xtb_calculator.f90.o lib_xtb.a.p/src_xtb_coulomb.f90.o lib_xtb.a.p/src_xtb_data.f90.o lib_xtb.a.p/src_xtb_dispersion.f90.o lib_xtb.a.p/src_xtb_eeq.f90.o lib_xtb.a.p/src_xtb_gfn0.f90.o lib_xtb.a.p/src_xtb_gfn1.f90.o lib_xtb.a.p/src_xtb_gfn2.f90.o lib_xtb.a.p/src_xtb_halogen.f90.o lib_xtb.a.p/src_xtb_hamiltonian.f90.o lib_xtb.a.p/src_xtb_multipole.f90.o lib_xtb.a.p/src_xtb_repulsion.f90.o lib_xtb.a.p/src_xtb_thirdorder.f90.o lib_xtb.a.p/src_aespot.f90.o lib_xtb.a.p/src_anharmlib.f90.o lib_xtb.a.p/src_aoparam.f90.o lib_xtb.a.p/src_approxrab.f90.o lib_xtb.a.p/src_axis_trafo.f90.o lib_xtb.a.p/src_basic_geo.f90.o lib_xtb.a.p/src_bfgs.f90.o lib_xtb.a.p/src_bias_path.f90.o lib_xtb.a.p/src_blowsy.f90.o lib_xtb.a.p/src_broyden.f90.o lib_xtb.a.p/src_charge_model.f90.o lib_xtb.a.p/src_coffee.f90.o lib_xtb.a.p/src_constrain_param.f90.o lib_xtb.a.p/src_constrain_pot.f90.o lib_xtb.a.p/src_constr.f90.o lib_xtb.a.p/src_cqpath.f90.o lib_xtb.a.p/src_cube.f90.o lib_xtb.a.p/src_david2.f90.o lib_xtb.a.p/src_david.f.o lib_xtb.a.p/src_define.f90.o lib_xtb.a.p/src_detrotra.f90.o lib_xtb.a.p/src_dipole.f90.o lib_xtb.a.p/src_drsp.f.o lib_xtb.a.p/src_dtrafo.f90.o lib_xtb.a.p/src_dynamic.f90.o lib_xtb.a.p/src_eeq_model.f90.o lib_xtb.a.p/src_elem.f90.o lib_xtb.a.p/src_embedding.f90.o lib_xtb.a.p/src_enso_printout.f90.o lib_xtb.a.p/src_eqrot.f90.o lib_xtb.a.p/src_esp.f.o lib_xtb.a.p/src_expire.f90.o lib_xtb.a.p/src_filetools.F90.o lib_xtb.a.p/src_fixparam.f90.o lib_xtb.a.p/src_foden.f90.o lib_xtb.a.p/src_fragment.f90.o lib_xtb.a.p/src_generate_wsc.f90.o lib_xtb.a.p/src_geoopt_driver.f90.o lib_xtb.a.p/src_geosum.f90.o lib_xtb.a.p/src_getkopt.f90.o lib_xtb.a.p/src_getname.f90.o lib_xtb.a.p/src_getsymnum.f90.o lib_xtb.a.p/src_gfn0param.f90.o lib_xtb.a.p/src_gfn_paramset.f90.o lib_xtb.a.p/src_gfn_prparam.f90.o lib_xtb.a.p/src_grad_core.f90.o lib_xtb.a.p/src_header.f90.o lib_xtb.a.p/src_hessian.F90.o lib_xtb.a.p/src_hlex.f90.o lib_xtb.a.p/src_ifind.f90.o lib_xtb.a.p/src_iniq.f90.o lib_xtb.a.p/src_intgrad.f90.o lib_xtb.a.p/src_intmodes.f90.o lib_xtb.a.p/src_intpack.f90.o lib_xtb.a.p/src_lidep.f90.o lib_xtb.a.p/src_lindh.f90.o lib_xtb.a.p/src_lin.f90.o lib_xtb.a.p/src_lin_mod.f90.o lib_xtb.a.p/src_local.f90.o lib_xtb.a.p/src_locmode.f90.o lib_xtb.a.p/src_lopt.f90.o lib_xtb.a.p/src_ls_rmsd.f90.o lib_xtb.a.p/src_makel.f90.o lib_xtb.a.p/src_matinv.f90.o lib_xtb.a.p/src_mdoptim.f90.o lib_xtb.a.p/src_metadynamic.f90.o lib_xtb.a.p/src_modef.f90.o lib_xtb.a.p/src_model_hessian.f90.o lib_xtb.a.p/src_neighbor.f90.o lib_xtb.a.p/src_onetri.f90.o lib_xtb.a.p/src_optimizer.f90.o lib_xtb.a.p/src_pbc.f90.o lib_xtb.a.p/src_pbc_tools.f90.o lib_xtb.a.p/src_peeq_module.f90.o lib_xtb.a.p/src_pocketscan.f90.o lib_xtb.a.p/src_pqn.f90.o lib_xtb.a.p/src_printmold.f90.o lib_xtb.a.p/src_printout.f90.o lib_xtb.a.p/src_prmat.f90.o lib_xtb.a.p/src_pseudodiag.f90.o lib_xtb.a.p/src_qmdff.f90.o lib_xtb.a.p/src_qpot.f90.o lib_xtb.a.p/src_qsort.f90.o lib_xtb.a.p/src_rdcoord2.f90.o lib_xtb.a.p/src_read_gfn_param.f90.o lib_xtb.a.p/src_readin.f90.o lib_xtb.a.p/src_readl2.f90.o lib_xtb.a.p/src_readl.f90.o lib_xtb.a.p/src_relaxation_engine.f90.o lib_xtb.a.p/src_restart.f90.o lib_xtb.a.p/src_rmrottr.f90.o lib_xtb.a.p/src_rmsd.f90.o lib_xtb.a.p/src_scan_driver.f90.o lib_xtb.a.p/src_scanparam.f90.o lib_xtb.a.p/src_scc_core.f90.o lib_xtb.a.p/src_scf_module.f90.o lib_xtb.a.p/src_screening.f90.o lib_xtb.a.p/src_set_module.f90.o lib_xtb.a.p/src_setparam.f90.o lib_xtb.a.p/src_shake_module.f90.o lib_xtb.a.p/src_shiftlp.f90.o lib_xtb.a.p/src_single.f90.o lib_xtb.a.p/src_slater.f90.o lib_xtb.a.p/src_sphereparam.f90.o lib_xtb.a.p/src_spline2.f90.o lib_xtb.a.p/src_spline3.f90.o lib_xtb.a.p/src_splitparam.f90.o lib_xtb.a.p/src_stm.f.o lib_xtb.a.p/src_surfac.f.o lib_xtb.a.p/src_symparam.f90.o lib_xtb.a.p/src_symtranslib.f90.o lib_xtb.a.p/src_thermo.f90.o lib_xtb.a.p/src_timing.f90.o lib_xtb.a.p/src_tmgrad.f90.o lib_xtb.a.p/src_topology.f90.o lib_xtb.a.p/src_wrbas.f90.o lib_xtb.a.p/src_wrgbw.f90.o lib_xtb.a.p/src_wrmodef.f90.o lib_xtb.a.p/src_wrmo.f90.o lib_xtb.a.p/src_xhelp.f90.o lib_xtb.a.p/src_zmatpr.f90.o lib_xtb.a.p/symmetry_symmetry.f90.o lib_xtb.a.p/symmetry_symmetry_i.c.o
[501/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_submodules.f90.o -c ../src/prog/submodules.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/submodules.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/submodules.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[502/541] true
[503/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/assertion.f90.o -c ../TESTSUITE/assertion.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/assertion.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/assertion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/assertion.f90:2:21:
    2 |    use, intrinsic :: iso_fortran_env
      |                     1
Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8
[504/541] true
[505/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_argparser.f90.o -c ../src/prog/argparser.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/argparser.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/argparser.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[506/541] true
[507/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_info.f90.o -c ../src/prog/info.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/info.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/info.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[508/541] true
[509/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/coordinationnumber.f90.o -c ../TESTSUITE/coordinationnumber.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/coordinationnumber.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[510/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_thermo.f90.o -c ../src/prog/thermo.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/thermo.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/prog/thermo.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/prog/thermo.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
[511/541] true
[512/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/molstock.f90.o -c ../TESTSUITE/molstock.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/molstock.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/molstock.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[513/541] true
[514/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_topology.f90.o -c ../src/prog/topology.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/topology.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../src/prog/topology.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/prog/topology.f90:23:7:
   23 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
../src/prog/topology.f90:150:45:
  150 |    character(len=:), allocatable :: flag, sec
      |                                             1
Warning: Unused variable ‘sec’ declared at (1) [-Wunused-variable]
[515/541] true
[516/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/eeq.f90.o -c ../TESTSUITE/eeq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/eeq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/eeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/eeq.f90:36:21:
   36 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
../TESTSUITE/eeq.f90:146:21:
  146 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
[517/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/eeq_model.f90.o -c ../TESTSUITE/eeq_model.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/eeq_model.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/eeq_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/eeq_model.f90:185:35:
  185 |    real(wp),allocatable :: fgb(:,:),fhb(:)
      |                                   1
Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable]
../TESTSUITE/eeq_model.f90:185:42:
  185 |    real(wp),allocatable :: fgb(:,:),fhb(:)
      |                                          1
Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable]
[518/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_main.F90.o -c ../src/prog/main.F90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
../src/prog/main.F90:21:7:
   21 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../src/prog/main.F90:21:7:
   21 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
../src/prog/main.F90:116:33:
  116 |    type(chrg_parameter) :: chrgeq
      |                                 1
Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:184:22:
  184 |    logical :: epr,diff,murks
      |                      1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:173:19:
  173 |    real(wp) :: dum5,egap,etot,ipeashift
      |                   1
Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:147:45:
  147 |    real(wp),allocatable :: dumdumdum  (:,:,:)
      |                                             1
Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:184:17:
  184 |    logical :: epr,diff,murks
      |                 1
Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:183:16:
  183 |    logical :: ex,okbas
      |                1
Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:190:21:
  190 |    logical :: exitRun
      |                     1
Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:46:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                                              1
Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:144:33:
  144 |    type(TxTBParameter) :: globpar
      |                                 1
Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:188:23:
  188 |    logical :: newreader
      |                       1
Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:195:19:
  195 |    integer :: nproc
      |                   1
Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:183:22:
  183 |    logical :: ex,okbas
      |                      1
Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:194:38:
  194 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                                      1
Warning: Unused variable ‘omp_get_num_threads’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:194:58:
  194 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                                                          1
Warning: Unused variable ‘omp_get_thread_num’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:148:33:
  148 |    real(wp),allocatable :: q  (:)
      |                                 1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:149:34:
  149 |    real(wp),allocatable :: ql  (:)
      |                                  1
Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:150:34:
  150 |    real(wp),allocatable :: qr  (:)
      |                                  1
Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:22:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                      1
Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:25:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                         1
Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:194:17:
  194 |    integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM
      |                 1
Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:177:28:
  177 |    real(wp) :: vomega,vfukui
      |                            1
Warning: Unused variable ‘vfukui’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:28:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                            1
Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable]
../src/prog/main.F90:174:31:
  174 |    real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298
      |                               1
Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable]
../src/prog/main.F90: In function ‘__xtb_prog_main_MOD_xtbmain’:
../src/prog/main.F90:717:35: warning: ‘ip’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  717 |       vomega=(ip+ea)**2/(8*(ip-ea))
      |                                   ^
[519/541] true
[520/541] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_primary.f90.o -c ../src/prog/primary.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../src/prog/primary.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../src/prog/primary.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[521/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/dftd3.f90.o -c ../TESTSUITE/dftd3.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/dftd3.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/dftd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/dftd3.f90:74:32:
   74 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:262:32:
  262 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:259:53:
  259 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:455:32:
  455 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:452:53:
  452 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:633:32:
  633 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd3.f90:630:53:
  630 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
[522/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/coulomb.f90.o -c ../TESTSUITE/coulomb.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/coulomb.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/coulomb.f90:51:18:
   51 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:222:18:
  222 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:398:18:
  398 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:660:18:
  660 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:860:18:
  860 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:1141:18:
 1141 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:1304:18:
 1304 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/coulomb.f90:1478:18:
 1478 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
[523/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/dftd4.f90.o -c ../TESTSUITE/dftd4.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/dftd4.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/dftd4.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/dftd4.f90:81:32:
   81 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:298:32:
  298 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:295:53:
  295 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:523:58:
  523 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                                          1
Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:523:45:
  523 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                             1
Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:515:32:
  515 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:523:32:
  523 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:512:53:
  512 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:708:58:
  708 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                                          1
Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:708:45:
  708 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                             1
Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:700:32:
  700 |    real(wp) :: er, el, eps(3, 3)
      |                                1
Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:708:32:
  708 |    real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:)
      |                                1
Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable]
../TESTSUITE/dftd4.f90:697:53:
  697 |    real(wp), allocatable :: trans(:, :), trans2(:, :)
      |                                                     1
Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable]
[524/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/geometry_reader.f90.o -c ../TESTSUITE/geometry_reader.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/geometry_reader.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/geometry_reader.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/geometry_reader.f90:345:28:
  345 |    type(TEnvironment) :: env
      |                            1
Warning: Unused variable ‘env’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:346:18:
  346 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:343:19:
  343 |    integer :: iunit
      |                   1
Warning: Unused variable ‘iunit’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:344:25:
  344 |    type(TMolecule) :: mol
      |                         1
Warning: Unused variable ‘mol’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:402:28:
  402 |    type(TEnvironment) :: env
      |                            1
Warning: Unused variable ‘env’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:403:18:
  403 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:400:19:
  400 |    integer :: iunit
      |                   1
Warning: Unused variable ‘iunit’ declared at (1) [-Wunused-variable]
../TESTSUITE/geometry_reader.f90:401:25:
  401 |    type(TMolecule) :: mol
      |                         1
Warning: Unused variable ‘mol’ declared at (1) [-Wunused-variable]
[525/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn0.f90.o -c ../TESTSUITE/gfn0.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfn0.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/gfn0.f90:63:37:
   63 |    logical  :: okpar,okbas,exist,diff
      |                                     1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
[526/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn1.f90.o -c ../TESTSUITE/gfn1.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfn1.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfn1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/gfn1.f90:56:31:
   56 |    logical  :: okpar,okbas,diff,exitRun
      |                               1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfn1.f90:514:29:
  514 |    type(tb_pcem)      :: pcem
      |                             1
Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfn1.f90:522:26:
  522 |    real(wp) :: stress(3,3)
      |                          1
Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable]
[527/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn2.f90.o -c ../TESTSUITE/gfn2.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfn2.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[528/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/latticepoint.f90.o -c ../TESTSUITE/latticepoint.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/latticepoint.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/latticepoint.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[529/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/pbc_tools.f90.o -c ../TESTSUITE/pbc_tools.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/pbc_tools.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/pbc_tools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[530/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/peeq.f90.o -c ../TESTSUITE/peeq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/peeq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/peeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/peeq.f90:111:13:
  111 |    wfn%nel = idint(sum(mol%z)) - mol%chrg
      |             1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion]
../TESTSUITE/peeq.f90:72:25:
   72 |    logical  :: okbas,diff
      |                         1
Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable]
[531/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/repulsion.f90.o -c ../TESTSUITE/repulsion.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/repulsion.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/repulsion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/repulsion.f90:49:18:
   49 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
../TESTSUITE/repulsion.f90:183:18:
  183 |    logical :: fail
      |                  1
Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable]
[532/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/symmetry.f90.o -c ../TESTSUITE/symmetry.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/symmetry.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/symmetry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[533/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tests_peeq.f90.o -c ../TESTSUITE/tests_peeq.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/tests_peeq.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/tests_peeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/tests_peeq.f90:8:7:
    8 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising]
../TESTSUITE/tests_peeq.f90:8:7:
    8 |    use xtb_mctc_timings
      |       1
Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising]
../TESTSUITE/tests_peeq.f90:18:19:
   18 |    integer  :: idum,nargs
      |                   1
Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable]
../TESTSUITE/tests_peeq.f90:17:21:
   17 |    integer  :: testid
      |                     1
Warning: Unused variable ‘testid’ declared at (1) [-Wunused-variable]
[534/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfnff.f90.o -c ../TESTSUITE/gfnff.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/gfnff.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/gfnff.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
../TESTSUITE/gfnff.f90:47:20:
   47 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:44:38:
   44 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:45:19:
   45 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:132:20:
  132 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:129:38:
  129 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:130:19:
  130 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:219:20:
  219 |    logical  :: exist
      |                    1
Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:216:38:
  216 |    character(len=:),allocatable :: fnv
      |                                      1
Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable]
../TESTSUITE/gfnff.f90:217:19:
  217 |    integer  :: ipar
      |                   1
Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable]
[535/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/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]
[536/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/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
[537/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tbdef_molecule.f90.o -c ../TESTSUITE/tbdef_molecule.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/tbdef_molecule.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/tbdef_molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[538/541] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tbdef_wsc.f90.o -c ../TESTSUITE/tbdef_wsc.f90
f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran
annobin: ../TESTSUITE/tbdef_wsc.f90: Warning: -D_FORTIFY_SOURCE not defined
annobin: ../TESTSUITE/tbdef_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined
[539/541] gcc  -o libxtb.so.6.3.3  -Wl,--as-needed -Wl,--no-undefined -shared -fPIC -Wl,--start-group -Wl,-soname,libxtb.so.6 -Wl,--whole-archive lib_xtb.a -Wl,--no-whole-archive -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -lflexiblas -fopenmp -pthread -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group
lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch]
../src/mctc/blas/level3.f90:808:75: 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.f90:808:75: note: type ‘long int’ should match type ‘int’
../src/mctc/blas/level3.f90:808:75: note: ‘dgemm’ was previously declared here
../src/mctc/blas/level3.f90:808:75: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:482:58: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  482 |          call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond)
      |                                                          ^
../src/fragment.f90:72:17: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      |                 ^
../src/fragment.f90:72:17: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:483:57: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  483 |          call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec)
      |                                                         ^
../src/fragment.f90:18:15: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      |               ^
../src/fragment.f90:18:15: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/constrain_pot.f90:360:42: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch]
  360 |          call constrpot(fix,n,at,xyz,gr,e)
      |                                          ^
../src/constr.f90:158:20: note: type mismatch in parameter 6
  158 | subroutine constrpot(nat,at,xyz,g,e)
      |                    ^
../src/constr.f90:158:20: note: ‘constrpot’ was previously declared here
../src/constr.f90:158:20: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
[540/541] gfortran  -o xtb xtb.p/src_prog_argparser.f90.o xtb.p/src_prog_info.f90.o xtb.p/src_prog_main.F90.o xtb.p/src_prog_primary.f90.o xtb.p/src_prog_submodules.f90.o xtb.p/src_prog_thermo.f90.o xtb.p/src_prog_topology.f90.o -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -Wl,--start-group lib_xtb.a -lflexiblas -fopenmp -pthread -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group
lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch]
../src/mctc/blas/level3.f90:808:75: 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.f90:808:75: note: type ‘long int’ should match type ‘int’
../src/mctc/blas/level3.f90:808:75: note: ‘dgemm’ was previously declared here
../src/mctc/blas/level3.f90:808:75: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:482:58: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  482 |          call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond)
      |                                                          ^
../src/fragment.f90:72:17: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      |                 ^
../src/fragment.f90:72:17: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:483:57: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  483 |          call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec)
      |                                                         ^
../src/fragment.f90:18:15: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      |               ^
../src/fragment.f90:18:15: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/constrain_pot.f90:360:42: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch]
  360 |          call constrpot(fix,n,at,xyz,gr,e)
      |                                          ^
../src/constr.f90:158:20: note: type mismatch in parameter 6
  158 | subroutine constrpot(nat,at,xyz,g,e)
      |                    ^
../src/constr.f90:158:20: note: ‘constrpot’ was previously declared here
../src/constr.f90:158:20: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/prog/main.F90:1141:28: warning: type of ‘help’ does not match original declaration [-Wlto-type-mismatch]
 1141 |          call help(env%unit)
      |                            ^
../src/xhelp.f90:69:15: note: type mismatch in parameter 1
   69 | subroutine help
      |               ^
../src/xhelp.f90:69:15: note: ‘help’ was previously declared here
[541/541] gfortran  -o TESTSUITE/xtb_test TESTSUITE/xtb_test.p/assertion.f90.o TESTSUITE/xtb_test.p/molstock.f90.o TESTSUITE/xtb_test.p/coordinationnumber.f90.o TESTSUITE/xtb_test.p/coulomb.f90.o TESTSUITE/xtb_test.p/eeq.f90.o TESTSUITE/xtb_test.p/eeq_model.f90.o TESTSUITE/xtb_test.p/dftd3.f90.o TESTSUITE/xtb_test.p/dftd4.f90.o TESTSUITE/xtb_test.p/geometry_reader.f90.o TESTSUITE/xtb_test.p/gfn0.f90.o TESTSUITE/xtb_test.p/gfn1.f90.o TESTSUITE/xtb_test.p/gfn2.f90.o TESTSUITE/xtb_test.p/gfnff.f90.o TESTSUITE/xtb_test.p/latticepoint.f90.o TESTSUITE/xtb_test.p/pbc_tools.f90.o TESTSUITE/xtb_test.p/peeq.f90.o TESTSUITE/xtb_test.p/repulsion.f90.o TESTSUITE/xtb_test.p/symmetry.f90.o TESTSUITE/xtb_test.p/tests_peeq.f90.o TESTSUITE/xtb_test.p/thermo.f90.o TESTSUITE/xtb_test.p/tbdef_atomlist.f90.o TESTSUITE/xtb_test.p/tbdef_molecule.f90.o TESTSUITE/xtb_test.p/tbdef_wsc.f90.o -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -Wl,--start-group lib_xtb.a -lflexiblas -fopenmp -pthread -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group
../src/main/property.f90:482:58: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch]
  482 |          call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond)
      |                                                          ^
../src/fragment.f90:72:17: note: ‘cutcov’ was previously declared here
   72 | subroutine cutcov(n,at,xyz,cn,wb,bond)
      |                 ^
../src/fragment.f90:72:17: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/main/property.f90:483:57: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch]
  483 |          call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec)
      |                                                         ^
../src/fragment.f90:18:15: note: ‘mrec’ was previously declared here
   18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec)
      |               ^
../src/fragment.f90:18:15: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../src/constrain_pot.f90:360:42: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch]
  360 |          call constrpot(fix,n,at,xyz,gr,e)
      |                                          ^
../src/constr.f90:158:20: note: type mismatch in parameter 6
  158 | subroutine constrpot(nat,at,xyz,g,e)
      |                    ^
../src/constr.f90:158:20: note: ‘constrpot’ was previously declared here
../src/constr.f90:158:20: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used
../TESTSUITE/tests_peeq.f90:36:61: 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.f90:18:16: note: type mismatch in parameter 3
   18 | subroutine raise(mode,message,code)
      |                ^
../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here
../src/mctc/error.f90:18:16: 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.f90:249:49: note: type mismatch in parameter 14
  249 |          mol%lattice(:, :) = matmul(eps, lattice)
      |                                                 ^
../TESTSUITE/eeq.f90:249:49: note: type ‘long int’ should match type ‘int’
../TESTSUITE/eeq.f90:249:49: note: ‘dgemm’ was previously declared here
../TESTSUITE/eeq.f90:249:49: 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.m6D2Mu
+ umask 022
+ cd /builddir/build/BUILD
+ '[' /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64 '!=' / ']'
+ rm -rf /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
++ dirname /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
+ mkdir -p /builddir/build/BUILDROOT
+ mkdir /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
+ cd xtb-6.3.3
+ DESTDIR=/builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
+ /usr/bin/meson install -C riscv64-redhat-linux-gnu --no-rebuild
Installing libxtb.so.6.3.3 to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64
Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64
Installing xtb to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/bin
Installing /builddir/build/BUILD/xtb-6.3.3/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/include/
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/xtb.1 to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/man/man1
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/xcontrol.7 to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/man/man7
Installing /builddir/build/BUILD/xtb-6.3.3/param_gfn0-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/param_gfn2-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/param_gfn1-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/param_ipea-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/config_env.bash to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/config_env.csh to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/xtb
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/xtb.pc to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/pkgconfig
Installing /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/assets/xtb.tcl to /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/modules/modulefiles/xtb
+ rm /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/libxtb.a
+ rm -rf /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/modules
+ mkdir -p /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/etc/profile.d
+ cat
+ cat
+ /usr/lib/rpm/find-debuginfo.sh -j4 --strict-build-id -m -i --build-id-seed 6.3.3-1.fc33 --unique-debug-suffix -6.3.3-1.fc33.riscv64 --unique-debug-src-base xtb-6.3.3-1.fc33.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.3.3
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/libxtb.so.6.3.3
explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/bin/xtb
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/lib64/libxtb.so.6.3.3
extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/bin/xtb
original debug info size: 36696kB, size after compression: 34660kB
/usr/lib/rpm/sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match.
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11114 blocks
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0
+ /usr/lib/rpm/brp-python-hardlink
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
mangling shebang in /usr/share/xtb/config_env.bash from /bin/bash to #!/usr/bin/bash
mangling shebang in /usr/share/xtb/config_env.csh from /bin/csh to #!/usr/bin/csh
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.61JF3v
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.3
+ set
BASH=/bin/sh
BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath
BASH_ALIASES=()
BASH_ARGC=()
BASH_ARGV=()
BASH_CMDS=()
BASH_LINENO=([0]="0")
BASH_SOURCE=([0]="/var/tmp/rpm-tmp.61JF3v")
BASH_VERSINFO=([0]="5" [1]="0" [2]="17" [3]="1" [4]="release" [5]="riscv64-redhat-linux-gnu")
BASH_VERSION='5.0.17(1)-release'
CONFIG_SITE=NONE
DIRSTACK=()
EUID=987
GROUPS=()
HISTCONTROL=ignoredups
HISTSIZE=1000
HOME=/builddir
HOSTNAME=
HOSTTYPE=riscv64
IFS=' 	
'
LANG=C
LOGNAME=mockbuild
MACHTYPE=riscv64-redhat-linux-gnu
MAIL=/var/spool/mail/mockbuild
NOTIFY_SOCKET=/run/systemd/nspawn/notify
OLDPWD=/builddir/build/BUILD
OPTERR=1
OPTIND=1
OSTYPE=linux-gnu
PATH=/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/sbin
PIPESTATUS=([0]="0")
PKG_CONFIG_PATH=:/usr/lib64/pkgconfig:/usr/share/pkgconfig
POSIXLY_CORRECT=y
PPID=4
PROMPT_COMMAND='printf "\033]0;<mock-chroot>\007"'
PS4='+ '
PWD=/builddir/build/BUILD/xtb-6.3.3
RPM_ARCH=riscv64
RPM_BUILD_DIR=/builddir/build/BUILD
RPM_BUILD_NCPUS=4
RPM_BUILD_ROOT=/builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
RPM_DOC_DIR=/usr/share/doc
RPM_LD_FLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld '
RPM_OPT_FLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -fasynchronous-unwind-tables -fstack-clash-protection'
RPM_OS=linux
RPM_PACKAGE_NAME=xtb
RPM_PACKAGE_RELEASE=1.fc33
RPM_PACKAGE_VERSION=6.3.3
RPM_SOURCE_DIR=/builddir/build/SOURCES
SHELL=/bin/bash
SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix:xtrace
SHLVL=1
SOURCE_DATE_EPOCH=1600300800
TERM=vt100
UID=987
USER=mockbuild
_=xtb-6.3.3
container=systemd-nspawn
container_uuid=55a9692e-c738-4a4e-890f-704b50418e3b
++ hostname
+ export HOSTNAME=a422d877ba6d403bbe70a1da96c99448
+ HOSTNAME=a422d877ba6d403bbe70a1da96c99448
+ /usr/bin/meson test -C riscv64-redhat-linux-gnu --num-processes 4 --print-errorlogs
ninja: Entering directory `/builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu'
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 1/96 Argparser: print version  OK             0.25s
 2/96 Argparser: print help     OK             0.18s
 3/96 Argparser: print license  OK             0.19s
 4/96 Argparser: no arguments   EXPECTEDFAIL   0.52s
 5/96 Info                      OK             0.22s
 6/96 Singlepoint               OK             2.38s
 7/96 Geometry opt.             OK             12.69s
 8/96 IP/EA                     OK             6.95s
 9/96 GFN0-xTB                  OK             0.81s
10/96 GFN1-xTB                  OK             3.43s
11/96 GFN2-xTB/GBSA             OK             2.51s
12/96 GFN-FF                    OK             0.40s
13/96 Molecule: axis            OK             0.24s
14/96 Molecule: MIC             OK             0.26s
15/96 Lattice points: PBC-3D    OK             0.30s
16/96 Wigner-Seitz Cell (3D)    OK             0.25s
17/96 coord 3D                  OK             0.21s
18/96 coord 3D                  OK             0.19s
19/96 coord 2D                  SKIP           0.20s
20/96 coord 1D                  SKIP           0.15s
21/96 coord 0D                  OK             0.19s
22/96 Xmol  0D                  OK             0.19s
23/96 POSCAR                    OK             0.26s
24/96 molfile                   OK             0.25s
25/96 molfile flat              OK             0.26s
26/96 SDF                       OK             0.25s
27/96 SDF flat                  OK             0.25s
28/96 SDF no H                  EXPECTEDFAIL   0.58s
29/96 PDB                       OK             0.36s
30/96 PDB no H                  EXPECTEDFAIL   0.62s
31/96 genFormat                 OK             0.21s
32/96 PBC tools: convert        OK             0.14s
33/96 PBC tools: cutoff         OK             0.14s
34/96 Symmetry: Water           OK             0.19s
35/96 Symmetry: Li8             OK             0.25s
36/96 Symmetry: PCl3            OK             0.21s
37/96 Symmetry: large           OK             1.55s
38/96 Thermo: axis              OK             0.19s
39/96 Thermo: calculation       OK             0.14s
40/96 Thermo: print             OK             0.14s
41/96 Repulsion: 0D             OK             0.45s
42/96 Repulsion: 3D             OK             4.54s
43/96 Coulomb: point (0D)       OK             0.35s
44/96 Coulomb: point (3D)       OK             2.81s
45/96 Coulomb: GFN1 (0D)        OK             0.72s
46/96 Coulomb: GFN1 (3D)        OK             3.06s
47/96 Coulomb: GFN2 (0D)        OK             0.72s
48/96 Coulomb: GFN2 (3D)        OK             3.22s
49/96 Coulomb: Gauss. (0D)      OK             0.35s
50/96 Coulomb: Gauss. (3D)      OK             2.62s
51/96 EEQ model: water          OK             0.26s
52/96 EEQ model: 3D Ewald       OK             1.48s
53/96 EEQ model: GBSA           OK             0.30s
54/96 EEQ model: GBSA (salt)    OK             0.28s
55/96 EEQ model: GBSA (H-bond)  SKIP           0.20s
56/96 CN: latticepoints         OK             0.89s
57/96 CN: neighbourlist         OK             1.00s
58/96 DFT-D3: latticepoints     OK             13.22s
59/96 DFT-D3: neighbourlist     OK             6.48s
60/96 DFT-D3: threebody (LP)    OK             2.06s
61/96 DFT-D3: threebody (NL)    OK             2.18s
62/96 DFT-D4: latticepoints     OK             11.63s
63/96 DFT-D4: neighbourlist     OK             9.15s
64/96 DFT-D4: threebody (LP)    OK             2.37s
65/96 DFT-D4: threebody (NL)    OK             2.10s
66/96 GFN2-xTB: Basic           OK             27.35s
67/96 GFN2-xTB: Solvation       OK             27.38s
68/96 GFN2-xTB: SCC             OK             0.46s
69/96 GFN2-xTB: API             OK             0.64s
70/96 GFN2-xTB: API (GBSA)      OK             0.95s
71/96 GFN2-xTB: API (GBSA+salt) OK             0.60s
72/96 GFN2-xTB: d-Metal         OK             4.38s
73/96 GFN1-xTB: Basic           OK             19.76s
74/96 GFN1-xTB: Solvation       OK             19.18s
75/96 GFN1-xTB: SCC             OK             0.29s
76/96 GFN1-xTB: API             OK             0.49s
77/96 GFN1-xTB: XB              OK             0.89s
78/96 GFN1-xTB: PBC             OK             7.00s
79/96 GFN1-xTB: API (GBSA)      OK             0.61s
80/96 GFN1-xTB: API (PCEM)      OK             0.97s
81/96 GFN0-xTB: Basic           OK             4.82s
82/96 GFN0-xTB: Solvation       OK             5.10s
83/96 GFN0-xTB: SP              OK             0.39s
84/96 GFN0-xTB: API             OK             0.46s
85/96 GFN0-xTB: SRB             OK             0.80s
86/96 GFN0-xTB: SP  (PBC)       OK             0.61s
87/96 GFN0-xTB: API (PBC)       OK             0.55s
88/96 GFN0-xTB: SRB (PBC)       OK             2.04s
89/96 GFN-FF: Basic             OK             0.97s
90/96 GFN-FF: Solvation         OK             1.00s
91/96 GFN-FF: SP                OK             0.23s
92/96 GFN-FF: HB                OK             0.32s
93/96 GFN-FF: GBSA              OK             0.32s
94/96 GFN-FF: Scale-up          OK             1.88s
95/96 GFN-FF: PDB               OK             0.96s
96/96 GFN-FF: SDF               OK             0.41s
Ok:                 90  
Expected Fail:      3   
Fail:               0   
Unexpected Pass:    0   
Skipped:            3   
Timeout:            0   
Full log written to /builddir/build/BUILD/xtb-6.3.3/riscv64-redhat-linux-gnu/meson-logs/testlog.txt
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: xtb-6.3.3-1.fc33.riscv64
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.Brrbrw
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.3
+ DOCDIR=/builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/doc/xtb
+ export LC_ALL=C
+ LC_ALL=C
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/doc/xtb
+ cp -pr README.md /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/doc/xtb
+ cp -pr CONTRIBUTING.md /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/doc/xtb
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: xtb = 6.3.3-1.fc33 xtb(riscv-64) = 6.3.3-1.fc33
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libflexiblas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(GOMP_5.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.27)(64bit) rtld(GNU_HASH)
Processing files: xtb-libs-6.3.3-1.fc33.riscv64
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.LXLVZs
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.3
+ LICENSEDIR=/builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/licenses/xtb-libs
+ export LC_ALL=C
+ LC_ALL=C
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/licenses/xtb-libs
+ cp -pr COPYING /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/licenses/xtb-libs
+ cp -pr COPYING.LESSER /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/licenses/xtb-libs
+ cp -pr README.md /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64/usr/share/licenses/xtb-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: libxtb.so.6()(64bit) xtb-libs = 6.3.3-1.fc33 xtb-libs(riscv-64) = 6.3.3-1.fc33
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/bash /usr/bin/csh ld-linux-riscv64-lp64d.so.1()(64bit) ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.27)(64bit) libflexiblas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(GOMP_5.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.27)(64bit) rtld(GNU_HASH)
Processing files: xtb-devel-6.3.3-1.fc33.riscv64
Provides: pkgconfig(xtb) = 6.3.3 xtb-devel = 6.3.3-1.fc33 xtb-devel(riscv-64) = 6.3.3-1.fc33
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/pkg-config libxtb.so.6()(64bit)
Processing files: xtb-debugsource-6.3.3-1.fc33.riscv64
Provides: xtb-debugsource = 6.3.3-1.fc33 xtb-debugsource(riscv-64) = 6.3.3-1.fc33
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: xtb-debuginfo-6.3.3-1.fc33.riscv64
Provides: debuginfo(build-id) = 6ef5640a89d923da274395f6565583992e8c20dc xtb-debuginfo = 6.3.3-1.fc33 xtb-debuginfo(riscv-64) = 6.3.3-1.fc33
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: xtb-debugsource(riscv-64) = 6.3.3-1.fc33
Processing files: xtb-libs-debuginfo-6.3.3-1.fc33.riscv64
Provides: debuginfo(build-id) = d5fb91b94cdbad5ebafe17372197519f535f59bf xtb-libs-debuginfo = 6.3.3-1.fc33 xtb-libs-debuginfo(riscv-64) = 6.3.3-1.fc33
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: xtb-debugsource(riscv-64) = 6.3.3-1.fc33
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
Wrote: /builddir/build/RPMS/xtb-libs-6.3.3-1.fc33.riscv64.rpm
Wrote: /builddir/build/RPMS/xtb-6.3.3-1.fc33.riscv64.rpm
Wrote: /builddir/build/RPMS/xtb-devel-6.3.3-1.fc33.riscv64.rpm
Wrote: /builddir/build/RPMS/xtb-debuginfo-6.3.3-1.fc33.riscv64.rpm
Wrote: /builddir/build/RPMS/xtb-libs-debuginfo-6.3.3-1.fc33.riscv64.rpm
Wrote: /builddir/build/RPMS/xtb-debugsource-6.3.3-1.fc33.riscv64.rpm
Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.ngX3iu
+ umask 022
+ cd /builddir/build/BUILD
+ cd xtb-6.3.3
+ /usr/bin/rm -rf /builddir/build/BUILDROOT/xtb-6.3.3-1.fc33.riscv64
+ RPM_EC=0
++ jobs -p
+ exit 0
Child return code was: 0