Mock Version: 1.4.21 Mock Version: 1.4.21 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'], chrootPath='/var/lib/mock/f33-build-311521-57460/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'}shell=Falselogger=timeout=432000uid=987gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'} and shell False Building target platforms: riscv64 Building for target riscv64 setting SOURCE_DATE_EPOCH=1593475200 Wrote: /builddir/build/SRPMS/xtb-6.3.1-5.fc33.src.rpm Child return code was: 0 ENTER ['do_with_status'](['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'], chrootPath='/var/lib/mock/f33-build-311521-57460/root'env={'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'}shell=Falselogger=timeout=432000uid=987gid=135user='mockbuild'nspawn_args=[]unshare_net=TrueprintOutput=False) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec'] with env {'TERM': 'vt100', 'SHELL': '/bin/bash', 'HOME': '/builddir', 'HOSTNAME': 'mock', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'PROMPT_COMMAND': 'printf "\\033]0;\\007"', 'PS1': ' \\s-\\v\\$ ', 'LANG': 'en_US.UTF-8'} and shell False Building target platforms: riscv64 Building for target riscv64 setting SOURCE_DATE_EPOCH=1593475200 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.cvV9zC + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf xtb-6.3.1 + /usr/bin/gzip -dc /builddir/build/SOURCES/xtb-6.3.1.tar.gz + /usr/bin/tar -xof - + STATUS=0 + '[' 0 -ne 0 ']' + cd xtb-6.3.1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + echo 'Patch #0 (xtb-6.3.1-fedoraver.patch):' Patch #0 (xtb-6.3.1-fedoraver.patch): + /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .fedoraver --fuzz=0 patching file meson.build patching file src/type/environment.f90 + echo 'Patch #1 (xtb-6.3.1-timeout.patch):' Patch #1 (xtb-6.3.1-timeout.patch): + /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .testtimeout --fuzz=0 patching file TESTSUITE/meson.build patching file TESTSUITE/meson.build patching file meson_options.txt patching file TESTSUITE/meson.build patching file meson_options.txt Patch #2 (xtb-6.3.1-lapack.patch): + echo 'Patch #2 (xtb-6.3.1-lapack.patch):' + /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .lapack --fuzz=0 patching file meson/meson.build + echo 'Patch #3 (xtb-6.3.1-wsc.patch):' Patch #3 (xtb-6.3.1-wsc.patch): + /usr/bin/patch --no-backup-if-mismatch -p1 -b --suffix .wsc --fuzz=0 patching file src/generate_wsc.f90 patching file src/gfnff/calculator.f90 patching file src/type/dummycalc.f90 patching file src/type/molecule.f90 patching file src/xtb/calculator.f90 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.oOXaNB + umask 022 + cd /builddir/build/BUILD + cd xtb-6.3.1 + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/meson --buildtype=plain --prefix=/usr --libdir=/usr/lib64 --libexecdir=/usr/libexec --bindir=/usr/bin --sbindir=/usr/sbin --includedir=/usr/include --datadir=/usr/share --mandir=/usr/share/man --infodir=/usr/share/info --localedir=/usr/share/locale --sysconfdir=/etc --localstatedir=/var --sharedstatedir=/var/lib --wrap-mode=nodownload --auto-features=enabled . riscv64-redhat-linux-gnu -Dla_backend=custom -Dcustom_libraries=openblaso -Dtest_timeout=2000 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/meson-private/sanitycheckf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined The Meson build system Version: 0.55.0 Source dir: /builddir/build/BUILD/xtb-6.3.1 Build dir: /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu Build type: native build Using 'PKG_CONFIG_PATH' from environment with value: ':/usr/lib64/pkgconfig:/usr/share/pkgconfig' Using 'PKG_CONFIG_PATH' from environment with value: ':/usr/lib64/pkgconfig:/usr/share/pkgconfig' Project name: xtb Project version: 6.3.1 Using 'FFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld' Using 'CC' from environment with value: 'gcc' Using 'CFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection' Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld' Using 'FFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld' Fortran compiler for the host machine: gfortran (gcc 10.2.1 "GNU Fortran (GCC) 10.2.1 20200804 (Red Hat 10.2.1-2)") Fortran linker for the host machine: gfortran ld.bfd 2.35-10 Using 'CC' from environment with value: 'gcc' Using 'CFLAGS' from environment with value: '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection' Using 'LDFLAGS' from environment with value: '-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld' C compiler for the host machine: gcc (gcc 10.2.1 "gcc (GCC) 10.2.1 20200804 (Red Hat 10.2.1-2)") C linker for the host machine: gcc ld.bfd 2.35-10 Host machine cpu family: riscv64 Host machine cpu: riscv64 Program git found: NO Configuring xtb_version.fh using configuration meson.build:60: WARNING: The variable(s) 'author', 'date', 'origin' in the input file 'assets/templates/version.f90' are not present in the given configuration data. Library openblaso found: YES Run-time dependency OpenMP found: YES 4.5 Run-time dependency threads found: YES Program asciidoctor found: YES Configuring xtb.1 with command Configuring xcontrol.7 with command Configuring config_env.bash using configuration Configuring config_env.csh using configuration Configuring xtb.pc using configuration Build targets in project: 5 Option includedir is: include [default: include/xtb] Option buildtype is: plain [default: release] Found ninja-1.10.0 at /usr/bin/ninja ++ date + date='Sun Aug 16 00:19:49 EDT 2020' + cat + /usr/bin/meson compile -C riscv64-redhat-linux-gnu -j 4 --verbose ninja: Entering directory `riscv64-redhat-linux-gnu' [1/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_version.f90.o -c ../src/api/version.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/api/version.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/version.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [2/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_accuracy.f90.o -c ../src/mctc/accuracy.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/accuracy.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/accuracy.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [3/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_math.f.o -c ../src/gfnff/math.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/math.f: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/math.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/math.f:61:14: 61 | , rab,rbc,thab,thbc,valijk, | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:61:18: 61 | , rab,rbc,thab,thbc,valijk, | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:62:30: 62 | , vecnorm,nan,nbn,rcn,snanb,deter,pi | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] [4/522] true [5/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o -c ../src/mctc/boundaryconditions.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/boundaryconditions.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/boundaryconditions.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [6/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o -c ../src/gfnff/gfnff_rab.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/gfnff_rab.f: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_rab.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_rab.f:31:24: 31 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:31:27: 31 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:18:35: 18 | subroutine gfnffdrab(n,at,xyz,cn,dcn,nsrb,srblist,rab,grab) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_rab.f:184:24: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:184:27: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:184:15: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] [7/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_mrec.f90.o -c ../src/gfnff/mrec.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/mrec.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/mrec.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [8/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_generator.f90.o -c ../src/gfnff/generator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/generator.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/generator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [9/522] true [10/522] true [11/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_data.f90.o -c ../src/gfnff/data.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/data.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [12/522] true [13/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level1.f90.o -c ../src/mctc/blas/level1.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/blas/level1.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/level1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [14/522] true [15/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_frag_hess.f90.o -c ../src/gfnff/frag_hess.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/frag_hess.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/frag_hess.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/frag_hess.f90:213:36: 213 | rmaxab(atj, ati) = jab(lin(atj, ati))/1.2 | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/frag_hess.f90:353:47: 353 | integer :: i,j,ii,jj,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:94:43: 94 | integer :: assigned_to_frag(nspin) | 1 Warning: Unused variable ‘assigned_to_frag’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:524:24: 524 | pure subroutine com(n,at,xyz,sum3) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [16/522] true [17/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level2.f90.o -c ../src/mctc/blas/level2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/blas/level2.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/level2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [18/522] true [19/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o -c ../src/mctc/blas/wrap1.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/blas/wrap1.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/wrap1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [20/522] true [21/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o -c ../src/mctc/blas/wrap2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/blas/wrap2.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/wrap2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [22/522] true [23/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_param.f90.o -c ../src/type/param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/param.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [24/522] true [25/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o -c ../src/mctc/lapack/geneigval.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/lapack/geneigval.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/geneigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [26/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_level3.f90.o -c ../src/mctc/blas/level3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/blas/level3.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/level3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [27/522] true [28/522] true [29/522] true [30/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o -c ../src/mctc/lapack/stdeigval.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/lapack/stdeigval.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/stdeigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [31/522] true [32/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_io.f90.o -c ../src/mctc/io.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/io.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/io.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [33/522] true [34/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_chartools.f90.o -c ../src/mctc/chartools.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/chartools.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/chartools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [35/522] true [36/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_namegen.f90.o -c ../src/mctc/namegen.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/namegen.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/namegen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [37/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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 [38/522] true [39/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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 [40/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o -c ../src/mctc/blas/wrap3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/blas/wrap3.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/wrap3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/blas/wrap3.f90:77:41: 77 | subroutine mctc_sgemm233(amat, bmat, cmat, transa, transb, alpha, beta) | 1 Warning: Unused dummy argument ‘cmat’ at (1) [-Wunused-dummy-argument] ../src/mctc/blas/wrap3.f90:61:31: 61 | character(len=1) :: tra, trb | 1 Warning: Unused variable ‘trb’ declared at (1) [-Wunused-variable] [41/522] true [42/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_resize.f90.o -c ../src/mctc/resize.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/resize.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/resize.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/resize.f90:121:27: 121 | integer :: length, order, currentLength | 1 Warning: Unused variable ‘order’ declared at (1) [-Wunused-variable] ../src/mctc/resize.f90: In function ‘__xtb_mctc_resize_MOD_resizechar’: ../src/mctc/resize.f90:84: warning: ‘.tmp’ is used uninitialized in this function [-Wuninitialized] 84 | character(len=:), allocatable :: tmp(:) | [43/522] true [44/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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 [45/522] true [46/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_sort.f90.o -c ../src/mctc/sort.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/sort.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/sort.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [47/522] true [48/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_thresholds.f90.o -c ../src/mctc/thresholds.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/thresholds.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/thresholds.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [49/522] true [50/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_version.f90.o -c ../src/mctc/version.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/version.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/version.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [51/522] true [52/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_symbols.f90.o -c ../src/mctc/symbols.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/symbols.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/symbols.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [53/522] true [54/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_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 [55/522] true [56/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_systools.f90.o -c ../src/mctc/mctc_systools.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/mctc_systools.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_systools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [57/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_convert.f90.o -c ../src/mctc/convert.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/convert.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/convert.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [58/522] true [59/522] true [60/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o -c ../src/mctc/param/atomic_masses.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/param/atomic_masses.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/atomic_masses.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [61/522] true [62/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_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 [63/522] true [64/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [65/522] true [66/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_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 [67/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o -c ../src/disp/dftd3_parameters.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/disp/dftd3_parameters.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/dftd3_parameters.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [68/522] true [69/522] true [70/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_pse.f90.o -c ../src/mctc/param/pse.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/param/pse.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/pse.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [71/522] true [72/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o -c ../src/mctc/param/r4r2_expectation_values.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/param/r4r2_expectation_values.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/r4r2_expectation_values.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [73/522] true [74/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_param.f90.o -c ../src/mctc/mctc_param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/mctc_param.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [75/522] true [76/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_timings.f90.o -c ../src/mctc/mctc_timings.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/mctc_timings.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_timings.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_timings.f90:138:28: 138 | character(len=8) :: date | 1 Warning: Unused variable ‘date’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:139:28: 139 | character(len=10) :: time | 1 Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:141:34: 141 | character(len=31) :: timestring | 1 Warning: Unused variable ‘timestring’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:142:30: 142 | integer(int64) :: values(8) | 1 Warning: Unused variable ‘values’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:140:28: 140 | character(len=5) :: zone | 1 Warning: Unused variable ‘zone’ declared at (1) [-Wunused-variable] [77/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_strings.f90.o -c ../src/mctc/mctc_strings.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/mctc_strings.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_strings.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_strings.f90:282:13: 282 | if(abs(rnum)>huge(inum)) then | 1 Warning: Change of value in conversion from ‘INTEGER(8)’ to ‘REAL(8)’ at (1) [-Wconversion] ../src/mctc/mctc_strings.f90:263:5: 263 | rnum=rnumd | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] [78/522] true [79/522] true [80/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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] [81/522] true [82/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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 [83/522] true [84/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o -c ../src/disp/dftd4_parameters.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/disp/dftd4_parameters.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/dftd4_parameters.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [85/522] true [86/522] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -std=c11 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -MD -MQ lib_xtb.a.p/src_mctc_signal.c.o -MF lib_xtb.a.p/src_mctc_signal.c.o.d -o lib_xtb.a.p/src_mctc_signal.c.o -c ../src/mctc/signal.c [87/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_atomicrad.f90.o -c ../src/param/atomicrad.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/param/atomicrad.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/atomicrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [88/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_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 [89/522] true [90/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_covalentradd3.f90.o -c ../src/param/covalentradd3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/param/covalentradd3.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/covalentradd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [91/522] true [92/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_paulingen.f90.o -c ../src/param/paulingen.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/param/paulingen.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/paulingen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [93/522] true [94/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_vdwradd3.f90.o -c ../src/param/vdwradd3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/param/vdwradd3.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/vdwradd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [95/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o -c ../src/param/sqrtzr4r2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/param/sqrtzr4r2.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/sqrtzr4r2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [96/522] true [97/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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 [98/522] true [99/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_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 [100/522] true [101/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_fragments.f90.o -c ../src/type/fragments.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/fragments.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/fragments.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [102/522] true [103/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_dispersion_model.f90.o -c ../src/type/dispersion_model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/dispersion_model.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/dispersion_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [104/522] true [105/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_basisset.f90.o -c ../src/type/basisset.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/basisset.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [106/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_atomlist.f90.o -c ../src/type/atomlist.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/atomlist.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/atomlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/atomlist.f90:348:42: 348 | character(len=:), allocatable :: buffer | 1 Warning: Unused variable ‘buffer’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:349:34: 349 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:350:26: 350 | integer :: pos, last, n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:274:15: 274 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:256:15: 256 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:248:15: 248 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:230:15: 230 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:165:76: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iomsg’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:165:53: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:165:61: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:54: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:62: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:0: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | Warning: ‘atomlist_write_formatted’ defined but not used [-Wunused-function] ../src/type/atomlist.f90:165:0: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | Warning: ‘atomlist_read_formatted’ defined but not used [-Wunused-function] [107/522] true [108/522] true [109/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [110/522] true [111/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [112/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_options.f90.o -c ../src/type/options.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/options.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/options.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [113/522] true [114/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gdisp0.f90.o -c ../src/gfnff/gdisp0.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/gdisp0.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gdisp0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gdisp0.f90:265:63: 265 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘d10’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:265:50: 265 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:103:36: 103 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:43:36: 43 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:28:0: 28 | subroutine weight_references(nat, atoms, wf, cn, gwvec, gwdcn) | Warning: ‘weight_references’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:147:0: 147 | subroutine get_atomic_c6(nat, atoms, gwvec, gwdcn, c6, dc6dcn) | Warning: ‘get_atomic_c6’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:347:0: 347 | real(wp) pure elemental function pair_scale(iat, jat) result(scale) | Warning: ‘pair_scale’ defined but not used [-Wunused-function] [115/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_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] [116/522] true [117/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_reader.F90.o -c ../src/type/reader.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran [118/522] true [119/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_pcem.f90.o -c ../src/type/pcem.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/pcem.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/pcem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [120/522] true [121/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_environment.f90.o -c ../src/type/environment.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/environment.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/environment.f90:250:17: 250 | subroutine getLog(self, message) | 1 Warning: ‘getlog’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] ../src/type/environment.f90:259:22: 259 | logical :: isError0 | 1 Warning: Unused variable ‘iserror0’ declared at (1) [-Wunused-variable] ../src/type/environment.f90:201:18: 201 | integer :: iLog | 1 Warning: Unused variable ‘ilog’ declared at (1) [-Wunused-variable] [122/522] true [123/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_setvar.f90.o -c ../src/type/setvar.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/setvar.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/setvar.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [124/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_coulomb_ewald.f90.o -c ../src/coulomb/ewald.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/coulomb/ewald.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coulomb/ewald.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/ewald.f90:389:36: 389 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:321:36: 321 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:239:36: 239 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] [125/522] true [126/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_solvent.f90.o -c ../src/type/solvent.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/solvent.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/solvent.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [127/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [128/522] true [129/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [130/522] true [131/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_global.f90.o -c ../src/mctc/mctc_global.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/mctc_global.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_global.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [132/522] true [133/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_mctc_init.f90.o -c ../src/mctc/mctc_init.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/mctc_init.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_init.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_init.f90:20:7: 20 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/mctc/mctc_init.f90:20:7: 20 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising] [134/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_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] [135/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_trf.f90.o -c ../src/mctc/lapack/trf.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/lapack/trf.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/trf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/lapack/trf.f90:393:47: 393 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1 Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] ../src/mctc/lapack/trf.f90:362:47: 362 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1 Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] [136/522] true [137/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_tri.f90.o -c ../src/mctc/lapack/tri.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/lapack/tri.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/tri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [138/522] true [139/522] true [140/522] true [141/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_trs.f90.o -c ../src/mctc/lapack/trs.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/lapack/trs.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/trs.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [142/522] true [143/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_timer.f90.o -c ../src/type/timer.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/timer.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/timer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/timer.f90:122:23: 122 | msg = self%tag(i) | 1 Warning: CHARACTER expression will be truncated in assignment (26/40) at (1) [-Wcharacter-truncation] [144/522] true [145/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [146/522] true [147/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_neighbourlist.f90.o -c ../src/type/neighbourlist.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/neighbourlist.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/neighbourlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [148/522] true [149/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_topology.f90.o -c ../src/type/topology.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/topology.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/topology.f90:122:31: 122 | integer :: pos, last, length | 1 Warning: Unused variable ‘length’ declared at (1) [-Wunused-variable] ../src/type/topology.f90:122:17: 122 | integer :: pos, last, length | 1 Warning: Unused variable ‘pos’ declared at (1) [-Wunused-variable] [150/522] true [151/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [152/522] true [153/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [154/522] true [155/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o -c ../src/mctc/lapack/wrap.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/lapack/wrap.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/wrap.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [156/522] true [157/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [158/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_wsc.f90.o -c ../src/type/wsc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/wsc.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [159/522] true [160/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_wignerseitzcell.f90.o -c ../src/type/wignerseitzcell.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/wignerseitzcell.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/wignerseitzcell.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/wignerseitzcell.f90:121:30: 121 | integer :: iTr, iAt, iAtOld, jAt, jAtEnd, iWs, nWs | 1 Warning: Unused variable ‘iatold’ declared at (1) [-Wunused-variable] ../src/type/wignerseitzcell.f90:122:37: 122 | real(wp) :: ri(3), dist2, trans(3), wsWeight | 1 Warning: Unused variable ‘trans’ declared at (1) [-Wunused-variable] ../src/type/wignerseitzcell.f90: In function ‘__xtb_type_wignerseitzcell_MOD_generate’: ../src/type/wignerseitzcell.f90:202: warning: ‘nws’ may be used uninitialized in this function [-Wmaybe-uninitialized] 202 | call bisectSearch(nWs, wsDist2(1:nWs), wsDist2(1)+wsTol2, tolSameDist2) | [161/522] true [162/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_cm5.f90.o -c ../src/solv/cm5.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/solv/cm5.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/cm5.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/cm5.f90:32:25: 32 | real(wp) :: dist,bkk,bkkd,bkkda | 1 Warning: Unused variable ‘bkkd’ declared at (1) [-Wunused-variable] [163/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_math.f90.o -c ../src/mctc/math.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/math.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/math.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/math.f90:171:17: 171 | integer i, j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] [164/522] true [165/522] true [166/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [167/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mctc_linalg.f90.o -c ../src/mctc/linalg.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mctc/linalg.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/linalg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/linalg.f90:306:34: 306 | real(dp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/mctc/linalg.f90:271:34: 271 | real(sp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] [168/522] true [169/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_anharmlib.f90.o -c ../src/anharmlib.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/anharmlib.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/anharmlib.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/anharmlib.f90:34:27: 34 | integer i,j,k,kk,mem,it1,it2,icall | 1 Warning: Unused variable ‘it1’ declared at (1) [-Wunused-variable] ../src/anharmlib.f90: In function ‘__xtb_anharmlib_MOD_curveanal’: ../src/anharmlib.f90:82: warning: ‘mem’ may be used uninitialized in this function [-Wmaybe-uninitialized] 82 | ityp(k)=2+int(sign(1.0d0,yy2(list(k)))) | [170/522] true [171/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_aoparam.f90.o -c ../src/aoparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/aoparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/aoparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [172/522] true [173/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_approxrab.f90.o -c ../src/approxrab.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/approxrab.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/approxrab.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/approxrab.f90:216:17: 216 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:216:21: 216 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:200:35: 200 | pure subroutine approx_rab(n,at,xyz,cn,dcndr,nsrb,srblist,shift,rab,grab) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/approxrab.f90:163:17: 163 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:163:21: 163 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:162:19: 162 | integer :: i,j,k,m | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:162:21: 162 | integer :: i,j,k,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:168:21: 168 | real(wp) :: ff,tmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:17: 117 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:21: 117 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:116:21: 116 | integer :: i,j,k,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:98:39: 98 | pure subroutine pbc_approx_rab(n,at,xyz,cn,dcndr,dcndL,nsrb,srblist,shift, & | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] [174/522] true [175/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_basic_geo.f90.o -c ../src/basic_geo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/basic_geo.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/basic_geo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/basic_geo.f90:380:27: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:380:32: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:18: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:22: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:260:34: 260 | real(wp) vecnorm,nan,nbn,rcn,snanb,deter,test | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:41: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1 Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:46: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1 Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:107:51: 107 | real(wp) xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1 Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] [176/522] true [177/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_bfgs.f90.o -c ../src/bfgs.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/bfgs.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/bfgs.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bfgs.f90:131:37: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:50: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:44: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:105:28: 105 | subroutine powell(nat3,gnorm,grad,grado,dx,hess) | 1 Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:131:31: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:37: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:50: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:44: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:19: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘ddot’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:20:26: 20 | subroutine bfgs(nat3,gnorm,grad,grado,dx,hess) | 1 Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:48:31: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] [178/522] true [179/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_data.f90.o -c ../src/xtb/data.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/data.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/data.f90:682:42: 682 | integer :: nElem, iZp, iSh, lAng, iKind | 1 Warning: Unused variable ‘ikind’ declared at (1) [-Wunused-variable] ../src/xtb/data.f90:611:35: 611 | subroutine initCoulomb(self, nShell, chemicalHardness, shellHardness, & | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/xtb/data.f90:360:36: 360 | subroutine writeInfo(self, unit, num) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [180/522] true [181/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [182/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_charge_model.f90.o -c ../src/charge_model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/charge_model.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/charge_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [183/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [184/522] true [185/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_multipole.f90.o -c ../src/xtb/multipole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/multipole.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/multipole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [186/522] true [187/522] true [188/522] true [189/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_thirdorder.f90.o -c ../src/xtb/thirdorder.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/thirdorder.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/thirdorder.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [190/522] true [191/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [192/522] true [193/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_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] [194/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_coulomb.f90.o -c ../src/xtb/coulomb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/coulomb.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [195/522] true [196/522] true [197/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [198/522] true [199/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [200/522] true [201/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_define.f90.o -c ../src/define.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/define.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/define.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [202/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_cqpath.f90.o -c ../src/cqpath.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/cqpath.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/cqpath.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/cqpath.f90:521:16: 521 | integer :: i,j,k,sr,so,x,nn | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:512:37: 512 | subroutine cqpath_read_pathfile(fn,nl,nat,nstr,file_xyz,iat,energy) | 1 Warning: Unused dummy argument ‘nl’ at (1) [-Wunused-dummy-argument] ../src/cqpath.f90:521:26: 521 | integer :: i,j,k,sr,so,x,nn | 1 Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:16: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:18: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:20: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:487:19: 487 | integer :: i,so,sr | 1 Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:17: 344 | real(8) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:23: 344 | real(8) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:350:18: 350 | integer :: i,j,nf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:14: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:17: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:20: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:23: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:26: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:29: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:128:39: 128 | subroutine cqpath_repos(n,m_repos,x,e,g,x2) | 1 Warning: Unused dummy argument ‘g’ at (1) [-Wunused-dummy-argument] ../src/cqpath.f90:45:28: 45 | real(8) :: strecke_X_inc, temp_strecke_X | 1 Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:45:44: 45 | real(8) :: strecke_X_inc, temp_strecke_X | 1 Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable] ../src/cqpath.f90: In function ‘__xtb_cqpath_MOD_cqpath_repos’: ../src/cqpath.f90:261: warning: ‘x_wert’ may be used uninitialized in this function [-Wmaybe-uninitialized] 261 | x_wert = x_wert + x_schritt*e2(i) | [203/522] true [204/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_elem.f90.o -c ../src/elem.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/elem.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/elem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [205/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_enso_printout.f90.o -c ../src/enso_printout.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/enso_printout.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/enso_printout.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [206/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_eqrot.f90.o -c ../src/eqrot.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/eqrot.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/eqrot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [207/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_drsp.f.o -c ../src/drsp.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/drsp.f: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/drsp.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/drsp.f:118:13: 118 | use iso_fortran_env, wp => real64 | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/drsp.f:186:72: 186 | 10 E(I-1) = E(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) ../src/drsp.f:215:72: 215 | 50 D(I) = D(I) - H | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 50 at (1) ../src/drsp.f:337:72: 337 | 10 E2(I-1) = E2(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) ../src/drsp.f:369:72: 369 | 60 D(I) = D(I) - H | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/drsp.f:612:72: 612 | DO 80 K = 1, J | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 80 at (1) ../src/drsp.f:419:31: 419 | SUBROUTINE TRBAK3(NM,N,NV,A,M,Z) | 1 Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:503:40: 503 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘eps’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:503:44: 503 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘eta’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:503:27: 503 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:60:18: 60 | real(wp) esp,eta | 1 Warning: Unused variable ‘esp’ declared at (1) [-Wunused-variable] ../src/drsp.f: In function ‘tqlrat_’: ../src/drsp.f:395: warning: ‘c’ may be used uninitialized in this function [-Wmaybe-uninitialized] 395 | IF (ABS (E2(L)).LE.ABS (C/H)) GO TO 80 | [208/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_expire.f90.o -c ../src/expire.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/expire.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/expire.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/expire.f90:19:8: 19 | use iso_fortran_env | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/expire.f90:27:20: 27 | parameter (cdate=365*lower(1) + 30.5*lower(2) + lower(3)) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘INTEGER(4)’ at (1) [-Wconversion] ../src/expire.f90:30:9: 30 | adate=365*val(1) + 30.5*val(2) + val(3) ! actual date | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/expire.f90:23:15: 23 | integer :: i,upper(3),lower(3),val(8),edate,cdate,adate | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [209/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [210/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_fixparam.f90.o -c ../src/fixparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/fixparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/fixparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/fixparam.f90:76:23: 76 | integer :: i,ii,j,k,l,m,mm | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/fixparam.f90:76:25: 76 | integer :: i,ii,j,k,l,m,mm | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/fixparam.f90:76:30: 76 | integer :: i,ii,j,k,l,m,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] [211/522] true [212/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_fragment.f90.o -c ../src/fragment.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/fragment.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/fragment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/fragment.f90:75:39: 75 | integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n) | 1 Warning: Unused variable ‘iring’ declared at (1) [-Wunused-variable] ../src/fragment.f90:75:24: 75 | integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [213/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [214/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [215/522] true [216/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_getsymnum.f90.o -c ../src/getsymnum.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/getsymnum.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/getsymnum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [217/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_ifind.f90.o -c ../src/ifind.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/ifind.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/ifind.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/ifind.f90: In function ‘ifind_’: ../src/ifind.f90:33: warning: ‘mem’ may be used uninitialized in this function [-Wmaybe-uninitialized] 33 | end function ifind | ../src/ifind.f90:22:16: note: ‘mem’ was declared here 22 | integer i,mem | ^ [218/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfn_prparam.f90.o -c ../src/gfn_prparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfn_prparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfn_prparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfn_prparam.f90:85:8: 85 | use iso_fortran_env, kdp => real64 | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/gfn_prparam.f90:143:8: 143 | use iso_fortran_env, kdp => real64 | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/gfn_prparam.f90:18:38: 18 | subroutine gfn1_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:84:38: 84 | subroutine gfn2_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:142:38: 142 | subroutine gfn0_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] [219/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_header.f90.o -c ../src/header.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/header.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/header.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [220/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_lindh.f90.o -c ../src/lindh.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/lindh.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lindh.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lindh.f90:21:12: 21 | integer k, l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lindh.f90:21:15: 21 | integer k, l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:51: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘eij’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:46: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘eijk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:67: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘ejk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:28: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘ekl’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:43: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:37: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:59: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:20: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] [221/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_lin.f90.o -c ../src/lin.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/lin.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lin.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [222/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_lin_mod.f90.o -c ../src/lin_mod.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/lin_mod.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lin_mod.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [223/522] true [224/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_halogen.f90.o -c ../src/xtb/halogen.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/halogen.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/halogen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/halogen.f90:47:20: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:47:17: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:44:15: 44 | integer :: m,k,AA,B,X,ati,atj | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:33:26: 33 | subroutine xbpot(halData,n,at,xyz,xblist,nxb,a,exb,g) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/xtb/halogen.f90:47:25: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:45:34: 45 | real(wp) :: cc,r0ax,t13,t14,t16 | 1 Warning: Unused variable ‘t16’ declared at (1) [-Wunused-variable] [225/522] true [226/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_intpack.f90.o -c ../src/intpack.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/intpack.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/intpack.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intpack.f90:1416:28: 1416 | if(2*itoth-itot) 1,2,1 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:1484:44: 1484 | if(dabs(d(1))-0.0000001d0)10,10,11 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:1485:29: 1485 | 10 if(ilru-1) 12,12, 3 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:1492:45: 1492 | if(dabs(d(2))-0.0000001d0)20,20,21 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:1493:29: 1493 | 20 if(jmsv-1) 22,22,2 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:1500:46: 1500 | if(dabs(d(3))-0.0000001d0)30,30,31 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:1501:30: 1501 | 30 if(kntw-1) 32,32,1 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:1505:37: 1505 | if(2*uvwth-uvwt) 33,34,33 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/intpack.f90:992:15: 991 | do i=1,3 | 2 992 | dd(i)=-d(i) | 1 Warning: Array reference at (1) out of bounds (3 > 1) in loop beginning at (2) ../src/intpack.f90:993:18: 991 | do i=1,3 | 2 992 | dd(i)=-d(i) 993 | ddsq=ddsq+d(i)**2 | 1 Warning: Array reference at (1) out of bounds (3 > 1) in loop beginning at (2) ../src/intpack.f90:1440:29: 1440 | integer u,v,w,uvwt,rstt,uvwth | 1 Warning: Unused variable ‘rstt’ declared at (1) [-Wunused-variable] ../src/intpack.f90:1005:34: 1005 | pure subroutine opad1(l,m,n,ga,v,d) | 1 Warning: Unused dummy argument ‘d’ at (1) [-Wunused-dummy-argument] ../src/intpack.f90:38:24: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/intpack.f90:38:36: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1 Warning: Unused variable ‘efact’ declared at (1) [-Wunused-variable] [227/522] true [228/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [229/522] true [230/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_lebedev.f90.o -c ../src/solv/lebedev.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/solv/lebedev.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/lebedev.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/lebedev.f90:427:18: 427 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:406:18: 406 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:386:18: 386 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:369:18: 369 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:354:18: 354 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:340:16: 340 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:340:18: 340 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:328:16: 328 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:328:18: 328 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:318:16: 318 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:318:18: 318 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] [231/522] true [232/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [233/522] true [234/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_locmode.f90.o -c ../src/locmode.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/locmode.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/locmode.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/locmode.f90:22:26: 22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/locmode.f90:32:49: 32 | real(wp),allocatable:: d(:,:),u(:,:),bmat(:,:),rr(:), fl2(:) | 1 Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:29: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:42: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:57: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/locmode.f90:30:41: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1 Warning: Unused variable ‘tors’ declared at (1) [-Wunused-variable] ../src/locmode.f90:30:32: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1 Warning: Unused variable ‘vtyp’ declared at (1) [-Wunused-variable] ../src/locmode.f90:22:30: 22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/locmode.f90: In function ‘locmode_’: ../src/locmode.f90:29:50: warning: ‘highest’ may be used uninitialized in this function [-Wmaybe-uninitialized] 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | ^ [235/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_lopt.f90.o -c ../src/lopt.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/lopt.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lopt.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lopt.f90:233:9: 233 | 200 continue | 1 Warning: Label 200 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:223:12: 223 | 110 ij=ij+1 | 1 Warning: Label 110 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:213:20: 213 | 90 jl=jl+l | 1 Warning: Label 90 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:200:20: 200 | 70 jl=jl+l | 1 Warning: Label 70 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:159:17: 159 | 40 continue | 1 Warning: Label 40 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:137:17: 137 | 30 b=b+aqu*aux1**2-aux2**2 | 1 Warning: Label 30 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:100:8: 100 | 22 continue | 1 Warning: Label 22 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:98:11: 98 | 21 opn=opn+op(i,k)**2 | 1 Warning: Label 21 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:83:11: 83 | 20 d(i,i)=a1 | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:81:14: 81 | 10 d(j,i)=a0-accr*i+accr*i*j | 1 Warning: Label 10 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:37:18: 37 | integer :: auxi | 1 Warning: Unused variable ‘auxi’ declared at (1) [-Wunused-variable] [236/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_makel.f90.o -c ../src/makel.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/makel.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/makel.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [237/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [238/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_intgrad.f90.o -c ../src/intgrad.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/intgrad.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/intgrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intgrad.f90:1048:65: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:57: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1047:39: 1047 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:49: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:46: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:52: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1053:19: 1053 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1047:14: 1047 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1047:17: 1047 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1047:20: 1047 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:69: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:43: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1052:27: 1052 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1052:30: 1052 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:56: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1054:13: 1054 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1055:60: 1055 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:14: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1054:16: 1054 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1055:66: 1055 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1054:65: 1054 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jshmax’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:38: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:41: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:35: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:44: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:47: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:18: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:29: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:20: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:50: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:53: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1055:50: 1055 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1055:54: 1055 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1045:32: 1045 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1012:44: 1012 | subroutine sdqint(nShell,angShell,nat,at,nbf,nao,xyz,intcut,caoshell,saoshell, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1053:27: 1053 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:18: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:21: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1047:34: 1047 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1047:30: 1047 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1047:25: 1047 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1058:22: 1058 | real(wp) :: saw(10) | 1 Warning: Unused variable ‘saw’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:15: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1046:36: 1046 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1046:42: 1046 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:27: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:30: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:33: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:36: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:41: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1046:16: 1046 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1046:21: 1046 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1046:26: 1046 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1046:31: 1046 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1048:24: 1048 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:962:17: 962 | real(wp) :: ab,est,saw(10),sawg(3,10) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:961:42: 961 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:891:42: 891 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:809:20: 809 | real(wp) :: d(3),dd(0:8,3),gg(0:8,3),va(3),val(3),gra(3),t | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:809:46: 809 | real(wp) :: d(3),dd(0:8,3),gg(0:8,3),va(3),val(3),gra(3),t | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:381:15: 381 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:351:15: 351 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:244:20: 244 | integer ii,jj,m,n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] [239/522] true [240/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [241/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_ls_rmsd.f90.o -c ../src/ls_rmsd.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/ls_rmsd.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/ls_rmsd.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/ls_rmsd.f90:57:35: 57 | real(dp), dimension(4,4) :: S, dS | 1 Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:40: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:44: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:48: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y3’ declared at (1) [-Wunused-variable] [242/522] true [243/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_onetri.f90.o -c ../src/onetri.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/onetri.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/onetri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [244/522] true [245/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_hlex.f90.o -c ../src/hlex.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/hlex.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/hlex.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/hlex.f90:20:22: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/hlex.f90:20:45: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘focc’ at (1) [-Wunused-dummy-argument] ../src/hlex.f90:37:30: 37 | integer :: mo,n,i,j,k,idum,ii | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/hlex.f90:37:25: 37 | integer :: mo,n,i,j,k,idum,ii | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/hlex.f90:20:47: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] [246/522] true [247/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_pbc.f90.o -c ../src/pbc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/pbc.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pbc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [248/522] true [249/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_pqn.f90.o -c ../src/pqn.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/pqn.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pqn.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pqn.f90: In function ‘ncore_’: ../src/pqn.f90:60: warning: ‘__result_ncore’ may be used uninitialized in this function [-Wmaybe-uninitialized] 60 | end function ncore | ../src/pqn.f90:37: note: ‘__result_ncore’ was declared here 37 | pure elemental integer function ncore(at) | [250/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_pbc_tools.f90.o -c ../src/pbc_tools.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/pbc_tools.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pbc_tools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pbc_tools.f90:407:15: 407 | integer :: i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/pbc_tools.f90:407:17: 407 | integer :: i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pbc_tools.f90:407:19: 407 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [251/522] true [252/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_printmold.f90.o -c ../src/printmold.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/printmold.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/printmold.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/printmold.f90:49:30: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:49:43: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] ../src/printmold.f90:158:13: 158 | real*8 dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:30: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:43: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] [253/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_aespot.f90.o -c ../src/aespot.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/aespot.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/aespot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/aespot.f90:1092:40: 1092 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1092:27: 1092 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1096:61: 1096 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1096:35: 1096 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1095:16: 1095 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1092:18: 1092 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1093:14: 1093 | real(wp) f1,f2,tmp(6,6),r(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1093:17: 1093 | real(wp) f1,f2,tmp(6,6),r(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:12: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:56: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:14: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:16: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:38: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:41: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:35: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:44: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:47: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:18: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:60: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:29: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:20: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:50: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:53: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1097:32: 1097 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1065:45: 1065 | subroutine dsint(nShell,hData,thr,nat,nao,nbf,at,xyz,sqrab,caoshell,saoshell,nprim,primcount, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1094:47: 1094 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1095:57: 1095 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1096:48: 1096 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1095:21: 1095 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:18: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:21: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1095:37: 1095 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1095:44: 1095 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1094:25: 1094 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1094:34: 1094 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1094:43: 1094 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1095:30: 1095 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:57: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:53: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:48: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:15: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1065:58: 1065 | subroutine dsint(nShell,hData,thr,nat,nao,nbf,at,xyz,sqrab,caoshell,saoshell,nprim,primcount, & | 1 Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1096:22: 1096 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:31: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:37: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:43: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:27: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:30: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:33: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:36: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1092:16: 1092 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:16: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:21: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1090:26: 1090 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1091:24: 1091 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/aespot.f90:949:18: 949 | real(wp) rco,f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:949:21: 949 | real(wp) rco,f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:926:14: 926 | integer i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:926:16: 926 | integer i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:925:24: 925 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:925:27: 925 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:925:32: 925 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:925:37: 925 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:901:14: 901 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:838:29: 838 | subroutine mmomgabzero(nat,at,xyz,kdmp3,kdmp5,radcn,gab3,gab5) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:847:22: 847 | integer i,j,k,l,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:795:18: 795 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:795:20: 795 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:795:30: 795 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:795:33: 795 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:689:28: 689 | subroutine aniso_grad(nat,at,xyz,q,dipm,qp,kdmp3,kdmp5, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:700:25: 700 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e01’ declared at (1) [-Wunused-variable] ../src/aespot.f90:700:29: 700 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e02’ declared at (1) [-Wunused-variable] ../src/aespot.f90:700:33: 700 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e11’ declared at (1) [-Wunused-variable] ../src/aespot.f90:704:23: 704 | integer i,j,k,l,m,ki,kj,kl,mm | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:704:20: 704 | integer i,j,k,l,m,ki,kj,kl,mm | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:704:32: 704 | integer i,j,k,l,m,ki,kj,kl,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/aespot.f90:702:45: 702 | real(wp) dgab3,dgab5,damp1,damp2,ddamp,qs2 | 1 Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:517:38: 517 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:517:44: 517 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:519:16: 519 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:519:36: 519 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:519:27: 519 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:519:30: 519 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:516:51: 516 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t1a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:517:20: 517 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:517:24: 517 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:516:59: 516 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t3a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:517:28: 517 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:516:63: 516 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t4a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:517:32: 517 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:387:38: 387 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:387:44: 387 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:389:16: 389 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:389:36: 389 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:389:27: 389 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:389:30: 389 | integer i,j,k,l1,l2,ll,m,mx,ki,kj,mm | 1 Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:387:20: 387 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:387:24: 387 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:387:28: 387 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:387:32: 387 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:334:33: 334 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:334:30: 334 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/aespot.f90:334:18: 334 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:257:23: 257 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:257:20: 257 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:250:44: 250 | real(wp) edd,e01,e02,e11,r2,tt,tt3,q1,qs2 | 1 Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:147:37: 147 | integer i,j,k,l,ii,jj,ij,kl,kj,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:113:16: 113 | real(wp) aesi | 1 Warning: Unused variable ‘aesi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:109:29: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:109:34: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:114:16: 114 | integer i,iat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/aespot.f90:92:27: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:92:32: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:96:16: 96 | integer i,iat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:43: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:23: 47 | integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:26: 47 | integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:18: 47 | integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:29: 47 | integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:20: 47 | integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:32: 47 | integer i,j,k,l,m,ii,jj,ll,mm,kk,mq,md,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:18: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:21: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:15: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:27: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:30: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:33: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:36: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:43:26: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:43:31: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:24: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] [254/522] true [255/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_pseudodiag.f90.o -c ../src/pseudodiag.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/pseudodiag.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pseudodiag.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pseudodiag.f90:91:37: 91 | alphaarr(i_occ,i_virt) = sqrt(0.5d0*(1.d0+d/e)) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/pseudodiag.f90:92:36: 92 | betaarr(i_occ,i_virt) = -sign(sqrt(1.d0-alphaarr(i_occ,i_virt)*alphaarr(i_occ,i_virt)),c) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/pseudodiag.f90:50:14: 50 | real*8:: b | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:48:20: 48 | integer :: bound | 1 Warning: Unused variable ‘bound’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:44:36: 44 | integer:: blocksize, batch, dest, nproc | 1 Warning: Unused variable ‘dest’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:57:46: 57 | integer, allocatable, save :: indizes(:,:) | 1 Warning: Unused variable ‘indizes’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:41:15: 41 | integer:: j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:43:42: 43 | integer:: aux_occ,aux_virt, loop_count | 1 Warning: Unused variable ‘loop_count’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:42:15: 42 | integer:: m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] [256/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_prmat.f90.o -c ../src/prmat.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/prmat.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prmat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prmat.f90:60:11: 60 | use iso_fortran_env, wp => real64 | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/prmat.f90:130:19: 130 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:149:14: 149 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:162:14: 162 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:163:16: 163 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:175:14: 175 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:188:17: 188 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:191:22: 191 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:221:19: 221 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:240:14: 240 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:253:14: 253 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:254:16: 254 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:266:14: 266 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:279:17: 279 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:282:22: 282 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:313:19: 313 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:332:14: 332 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:345:14: 345 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:346:16: 346 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:358:14: 358 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:371:17: 371 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:374:22: 374 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:404:19: 404 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:423:14: 423 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:436:14: 436 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:437:16: 437 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:449:14: 449 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:462:17: 462 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:465:22: 465 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:116:4: 116 | 100 FORMAT('atoms : ',2X,6(4X,I4,2X)) | 1 Warning: Label 100 at (1) defined but not used [-Wunused-label] ../src/prmat.f90:503:4: 503 | 100 format(' # : ',2x,6(4x,i4,2x)) | 1 Warning: Label 100 at (1) defined but not used [-Wunused-label] ../src/prmat.f90:525:4: 525 | 100 format(' # : ',2x,6(4x,i4,2x)) | 1 Warning: Label 100 at (1) defined but not used [-Wunused-label] [257/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_qsort.f90.o -c ../src/qsort.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/qsort.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/qsort.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qsort.f90:51:22: 51 | integer :: i, j, ii | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] [258/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [259/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_molecule.f90.o -c ../src/type/molecule.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/molecule.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/molecule.f90:675:16: 675 | integer :: i,iat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:625:23: 625 | integer :: iat,info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:623:61: 623 | real(wp) :: center(3),atmass,inertia(3,3),work(9),tmp(3,3) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:623:52: 623 | real(wp) :: center(3),atmass,inertia(3,3),work(9),tmp(3,3) | 1 Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:218:27: 218 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:216:32: 216 | integer, allocatable :: id(:) | 1 Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:218:32: 218 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘iid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:218:22: 218 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘nid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:217:54: 217 | character(len=symbolLength), allocatable :: sTmp(:) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:583:0: 583 | pure function molecular_mass(self) result(molmass) | Warning: ‘molecular_mass’ defined but not used [-Wunused-function] ../src/type/molecule.f90: In function ‘__xtb_type_molecule_MOD_mol_set_nuclear_charge’: ../src/type/molecule.f90:503: warning: ‘__result_ncore’ may be used uninitialized in this function [-Wmaybe-uninitialized] 503 | self%z(i) = real(self%at(i),wp) - real(ncore(self%at(i))) | ../src/type/molecule.f90:508: note: ‘__result_ncore’ was declared here 508 | pure elemental integer function ncore(at) | [260/522] true [261/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [262/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [263/522] true [264/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_qmdff.f90.o -c ../src/qmdff.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/qmdff.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/qmdff.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qmdff.f90:1037:12: 1037 | & rab,rbc,thab,thbc,valijk, & | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:1037:16: 1037 | & rab,rbc,thab,thbc,valijk, & | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:1038:28: 1038 | & vecnorm,nan,nbn,rcn,snanb,deter,pi | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:994:24: 994 | subroutine setmorse(n,at,thr,echo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/qmdff.f90:946:17: 946 | real(wp):: alp= 6.d0 | 1 Warning: Unused variable ‘alp’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:947:18: 947 | real(wp):: alp3=6.d0 | 1 Warning: Unused variable ‘alp3’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:942:31: 942 | real(wp)gi,denom,ratio,apref,aprod | 1 Warning: Unused variable ‘apref’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:942:37: 942 | real(wp)gi,denom,ratio,apref,aprod | 1 Warning: Unused variable ‘aprod’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:938:23: 938 | real(wp)cosabh,aterm,rdampl | 1 Warning: Unused variable ‘aterm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:938:17: 938 | real(wp)cosabh,aterm,rdampl | 1 Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:942:19: 942 | real(wp)gi,denom,ratio,apref,aprod | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:941:34: 941 | real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3) | 1 Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:941:41: 941 | real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3) | 1 Warning: Unused variable ‘dg2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:940:34: 940 | real(wp)drah(3),drbh(3),drab(3) | 1 Warning: Unused variable ‘drab’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:940:18: 940 | real(wp)drah(3),drbh(3),drab(3) | 1 Warning: Unused variable ‘drah’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:940:26: 940 | real(wp)drah(3),drbh(3),drab(3) | 1 Warning: Unused variable ‘drbh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:943:15: 943 | real(wp)eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:941:16: 941 | real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3) | 1 Warning: Unused variable ‘ga’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:941:22: 941 | real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3) | 1 Warning: Unused variable ‘gb’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:941:28: 941 | real(wp)ga(3),gb(3),gh(3),dg(3),dg2(3) | 1 Warning: Unused variable ‘gh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:942:13: 942 | real(wp)gi,denom,ratio,apref,aprod | 1 Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:945:21: 945 | real(wp):: longcut=120.d0 | 1 Warning: Unused variable ‘longcut’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:14: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:27: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:18: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:32: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:42: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:942:25: 942 | real(wp)gi,denom,ratio,apref,aprod | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:22: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:37: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:939:47: 939 | real(wp)rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:938:30: 938 | real(wp)cosabh,aterm,rdampl | 1 Warning: Unused variable ‘rdampl’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:892:14: 892 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:893:52: 893 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘cb’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:892:24: 892 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:892:29: 892 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:893:55: 893 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:893:22: 893 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:892:52: 892 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘fa’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:892:55: 892 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘fb’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:890:30: 890 | real(wp)xyz(3,n),energy,rab | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:893:41: 893 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:892:49: 892 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:893:31: 893 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:893:34: 893 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:893:37: 893 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:703:18: 703 | real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:703:28: 703 | real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:703:33: 703 | real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:704:22: 704 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:704:41: 704 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:703:53: 703 | real(wp)rab,ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:704:31: 704 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:704:34: 704 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:704:37: 704 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:657:14: 657 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:657:24: 657 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘cosabh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:657:29: 657 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘d2ij’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:658:22: 658 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘dampm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:658:41: 658 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘rhm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:657:49: 657 | real(wp)ang,xy,cosabh,d2ij,d2ik,d2jk,term,temp,fa,fb | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:658:31: 658 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:658:34: 658 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:658:37: 658 | real(wp)aterm,dampm,dampl,xm,ym,zm,rhm,rab2,ca,cb,da | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:603:38: 603 | real(wp)c1,c2,r,er,el,step,edum,dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:603:34: 603 | real(wp)c1,c2,r,er,el,step,edum,dum | 1 Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:603:24: 603 | real(wp)c1,c2,r,er,el,step,edum,dum | 1 Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:603:21: 603 | real(wp)c1,c2,r,er,el,step,edum,dum | 1 Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:602:22: 602 | integer i1,i2,i,k,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:603:29: 603 | real(wp)c1,c2,r,er,el,step,edum,dum | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:523:39: 523 | real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0 | 1 Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:523:44: 523 | real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0 | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:523:50: 523 | real(wp) dx,dy,dz,c6,x,alpha,oner,aa,damp,damp2,e0 | 1 Warning: Unused variable ‘damp2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:303:56: 303 | real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:304:66: 304 | real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban | 1 Warning: Unused variable ‘ban’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:293:49: 293 | real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4) | 1 Warning: Unused variable ‘ca’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:293:23: 293 | real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4) | 1 Warning: Unused variable ‘cosna’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:307:49: 307 | real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el | 1 Warning: Unused variable ‘cosrph’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:307:57: 307 | real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el | 1 Warning: Unused variable ‘cosrph0’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:305:41: 305 | real(wp) :: c0,c1,c2,theta,sinth,costh,expo | 1 Warning: Unused variable ‘costh’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:46: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘damp2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:296:46: 296 | real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3) | 1 Warning: Unused variable ‘dedd’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:307:38: 307 | real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el | 1 Warning: Unused variable ‘dedphi’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:295:55: 295 | real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3) | 1 Warning: Unused variable ‘dedt’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:304:58: 304 | real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban | 1 Warning: Unused variable ‘dedtheta’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:295:63: 295 | real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3) | 1 Warning: Unused variable ‘dedu’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:304:21: 304 | real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban | 1 Warning: Unused variable ‘dei’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:304:28: 304 | real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban | 1 Warning: Unused variable ‘dej’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:304:35: 304 | real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban | 1 Warning: Unused variable ‘dek’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:293:65: 293 | real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4) | 1 Warning: Unused variable ‘dphi’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:306:25: 306 | real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step | 1 Warning: Unused variable ‘dphidri’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:306:36: 306 | real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step | 1 Warning: Unused variable ‘dphidrj’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:306:47: 306 | real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step | 1 Warning: Unused variable ‘dphidrk’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:306:58: 306 | real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step | 1 Warning: Unused variable ‘dphidrl’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:303:39: 303 | real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij | 1 Warning: Unused variable ‘eb’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:307:63: 307 | real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el | 1 Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:307:60: 307 | real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el | 1 Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:309:30: 309 | integer :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2 | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:300:17: 300 | integer :: ib,id | 1 Warning: Unused variable ‘ib’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:300:20: 300 | integer :: ib,id | 1 Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:309:47: 309 | integer :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2 | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:309:60: 309 | integer :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2 | 1 Warning: Unused variable ‘it2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:309:41: 309 | integer :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2 | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:307:31: 307 | real(wp) :: et,phi0,rn,kijkl,dedphi,phi,cosrph,cosrph0,er,el | 1 Warning: Unused variable ‘kijkl’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:309:50: 309 | integer :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2 | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:309:38: 309 | integer :: i,j,k,l,m,ic,ia,list(4),jj,mm,ii,kk,it,nt,it2 | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:303:42: 303 | real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij | 1 Warning: Unused variable ‘or’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:293:57: 293 | real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4) | 1 Warning: Unused variable ‘phix’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:304:62: 304 | real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban | 1 Warning: Unused variable ‘pi6’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:51: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘rac2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:57: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘racut’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:304:46: 304 | real(wp) :: dei(3),dej(3),dek(3),kijk,rb(3),ea,dedtheta,pi6,ban | 1 Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:30: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘rcb’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:18: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘rt2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:35: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘rtru’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:26: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘rtu’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:297:22: 297 | real(wp) :: rt2,ru2,rtu,rcb,rtru,damp,damp2,rac2,racut,omega | 1 Warning: Unused variable ‘ru2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:293:43: 293 | real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4) | 1 Warning: Unused variable ‘sa’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:293:32: 293 | real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4) | 1 Warning: Unused variable ‘sinna’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:305:35: 305 | real(wp) :: c0,c1,c2,theta,sinth,costh,expo | 1 Warning: Unused variable ‘sinth’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:306:63: 306 | real(wp) :: dphidri(3),dphidrj(3),dphidrk(3),dphidrl(3),step | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:303:21: 303 | real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij | 1 Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:303:26: 303 | real(wp) :: r,thab,thbc,ra(3),fac,eb,or,kij,rij,alpha,dij | 1 Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:293:37: 293 | real(wp) :: cosna(4),sinna(4),v(4),sa(4),ca(4),phix(4),dphi(4) | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:294:45: 294 | real(wp) :: va(3),vb(3),vc(3),vd(3),vba(3),vcb(3),vdc(3),vab(3) | 1 Warning: Unused variable ‘vba’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:295:21: 295 | real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3) | 1 Warning: Unused variable ‘vca’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:294:38: 294 | real(wp) :: va(3),vb(3),vc(3),vd(3),vba(3),vcb(3),vdc(3),vab(3) | 1 Warning: Unused variable ‘vd’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:295:28: 295 | real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3) | 1 Warning: Unused variable ‘vdb’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:295:34: 295 | real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3) | 1 Warning: Unused variable ‘vt’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:296:55: 296 | real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3) | 1 Warning: Unused variable ‘vtmp1’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:296:64: 296 | real(wp) :: deda(3),dedb(3),dedc(3),dedd(3),vtmp1(3),vtmp2(3) | 1 Warning: Unused variable ‘vtmp2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:295:47: 295 | real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3) | 1 Warning: Unused variable ‘vtu’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:295:40: 295 | real(wp) :: vca(3),vdb(3),vt(3),vu(3),vtu(3),dedt(3),dedu(3) | 1 Warning: Unused variable ‘vu’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:180:38: 180 | real(wp) :: qdum,r,xx(10),dum1,dum2 | 1 Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:179:34: 179 | integer :: i,j,n,nn,nterm,idum,imass,ich | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:179:29: 179 | integer :: i,j,n,nn,nterm,idum,imass,ich | 1 Warning: Unused variable ‘nterm’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:180:21: 180 | real(wp) :: qdum,r,xx(10),dum1,dum2 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:69:16: 69 | real(wp) :: e | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:70:21: 70 | real(wp) :: g(3,n) | 1 Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable] ../src/qmdff.f90:59:26: 59 | subroutine ff_ini(n,at,xyz,cn,s6) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/qmdff.f90: In function ‘__xtb_qmdff_MOD_ff_eg’: ../src/qmdff.f90:351: warning: ‘fac’ may be used uninitialized in this function [-Wmaybe-uninitialized] 351 | g(ic,i)=g(ic,i)+fac*ra(ic) | [265/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_model_hessian.f90.o -c ../src/model_hessian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/model_hessian.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/model_hessian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/model_hessian.f90:1484:8: 1484 | use iso_fortran_env, wp => real64 | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/model_hessian.f90:1775:8: 1775 | use iso_fortran_env, wp => real64 | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/model_hessian.f90:2217:4: 2217 | 777 Do kAtom = 1, nAtoms | 1 Warning: Label 777 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2652:3: 2652 | 444 Continue | 1 Warning: Label 444 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2504:3: 2504 | 20 Continue | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2281:3: 2281 | 10 Continue | 1 Warning: Label 10 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2284:2: 2284 | 5 Continue | 1 Warning: Label 5 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:1774:22: 1774 | subroutine mh_eeq(n,at,xyz,chrg,chrgeq,kq,hess) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/model_hessian.f90:1819:17: 1819 | real(wp) :: es,expterm,erfterm | 1 Warning: Unused variable ‘es’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1792:45: 1792 | real(wp),allocatable :: hessian(:,:,:,:) ! molecular hessian of IES | 1 Warning: Unused variable ‘hessian’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1820:19: 1820 | real(wp) :: htmp,rxr(3,3) | 1 Warning: Unused variable ‘htmp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1814:22: 1814 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1818:21: 1818 | real(wp) :: lambda | 1 Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1821:21: 1821 | real(wp) :: rcovij,rr | 1 Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1821:24: 1821 | real(wp) :: rcovij,rr | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1834:34: 1834 | real(wp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1817:27: 1817 | real(wp) :: arg,arg2,tmp,dtmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1590:21: 1590 | real(wp) :: rij(3),rij1,brij(3,2) | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1591:21: 1591 | real(wp) :: rjk(3),rjk1,brjk(3,2) | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1592:21: 1592 | real(wp) :: rkl(3),rkl1,brkl(3,2) | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1325:19: 1325 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1194:19: 1194 | real(wp) :: beta,tij,tau,dum(3,4,3,4) | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1193:35: 1193 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1 Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:979:20: 979 | real(wp) :: alpha | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:593:19: 593 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:19: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘ir’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:24: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘jr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:29: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘kr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:34: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘lr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:469:30: 469 | real(wp) :: rij(3),rij0,aij,rij2,d0ij,gij | 1 Warning: Unused variable ‘aij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:470:30: 470 | real(wp) :: rjk(3),rjk0,ajk,rjk2,d0jk,gjk | 1 Warning: Unused variable ‘ajk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:471:30: 471 | real(wp) :: rkl(3),rkl0,akl,rkl2,d0kl,gkl | 1 Warning: Unused variable ‘akl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:473:19: 473 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:472:35: 472 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1 Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:264:20: 264 | real(wp) :: alpha | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:3155:38: 3155 | subroutine getqqxy(dx,dy,qq,c6,r,r2,r3,rpa,r02,d2) | 1 Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument] ../src/model_hessian.f90:2135:21: 2135 | real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), & | 1 Warning: Unused variable ‘alphavdw’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2135:27: 2135 | real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), & | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2136:24: 2136 | & vdw(3,3), dr(3) | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2137:18: 2137 | integer kxyz, lxyz | 1 Warning: Unused variable ‘kxyz’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2137:24: 2137 | integer kxyz, lxyz | 1 Warning: Unused variable ‘lxyz’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90: In function ‘__xtb_modelhessian_MOD_mh_swart’: ../src/model_hessian.f90:494:19: warning: ‘kl’ may be used uninitialized in this function [-Wmaybe-uninitialized] 494 | if (ij.le.kl) cycle torsion_lAt | ^ ../src/model_hessian.f90:464:34: note: ‘kl’ was declared here 464 | integer :: i,j,k,l,ic,jc,ij,kl | ^ [266/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_freq_project.f90.o -c ../src/freq/project.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/freq/project.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/freq/project.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [267/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_ncoord.f90.o -c ../src/disp/ncoord.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/disp/ncoord.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/ncoord.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/ncoord.f90:1041:34: 1041 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:1041:38: 1041 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:969:34: 969 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:969:38: 969 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:770:42: 770 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:700:53: 700 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:700:42: 700 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:587:46: 587 | real(wp) :: rij(3), r, rco, den, rr, r2, xn, tmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:481:34: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:481:38: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:397:34: 397 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:397:38: 397 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:346:22: 346 | real(wp) :: expterm | 1 Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:292:34: 292 | real(wp) :: rij(3), r, rco, den, tmp, r2 | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] [268/522] true [269/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_ctfile.f90.o -c ../src/io/reader/ctfile.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/reader/ctfile.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/ctfile.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [270/522] true [271/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [272/522] true [273/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [274/522] true [275/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_genformat.f90.o -c ../src/io/reader/genformat.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/reader/genformat.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/genformat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/genformat.f90:160:41: 160 | integer :: error, ndim, ii, jj, jbatch, iline | 1 Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable] ../src/io/reader/genformat.f90:158:40: 158 | character(len=:), allocatable :: line | 1 Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/io/reader/genformat.f90: In function ‘__xtb_io_reader_genformat_MOD_readhessiandftbplus’: ../src/io/reader/genformat.f90:165: warning: ‘error’ is used uninitialized in this function [-Wuninitialized] 165 | if (error /= 0) then | [276/522] true [277/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_pdb.f90.o -c ../src/io/reader/pdb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/reader/pdb.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/pdb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [278/522] true [279/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_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] [280/522] true [281/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_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 [282/522] true [283/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [284/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_gaussian.f90.o -c ../src/io/writer/gaussian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/writer/gaussian.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [285/522] true [286/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_orca.f90.o -c ../src/io/writer/orca.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/writer/orca.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/orca.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [287/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_genformat.f90.o -c ../src/io/writer/genformat.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/writer/genformat.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/genformat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [288/522] true [289/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_pdb.f90.o -c ../src/io/writer/pdb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/writer/pdb.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/pdb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [290/522] true [291/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_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 [292/522] true [293/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_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 [294/522] true [295/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_coffee.f90.o -c ../src/coffee.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/coffee.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coffee.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [296/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer_turbomole.f90.o -c ../src/io/writer/turbomole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/writer/turbomole.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/writer/turbomole.f90: In function ‘__xtb_io_writer_turbomole_MOD_writenormalmodesturbomole’: ../src/io/writer/turbomole.f90:177: warning: ‘h.offset’ is used uninitialized in this function [-Wuninitialized] 177 | h = normalModes | ../src/io/writer/turbomole.f90:177: warning: ‘h.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized] ../src/io/writer/turbomole.f90:177: warning: ‘h.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized] ../src/io/writer/turbomole.f90:177: warning: ‘h.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized] ../src/io/writer/turbomole.f90:177: warning: ‘h.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized] [297/522] true [298/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_calculator.f90.o -c ../src/type/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [299/522] true [300/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_writer.f90.o -c ../src/io/writer.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/writer.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [301/522] true [302/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_detrotra.f90.o -c ../src/detrotra.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/detrotra.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/detrotra.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [303/522] true [304/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_identitymap.f90.o -c ../src/type/identitymap.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/identitymap.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/identitymap.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [305/522] true [306/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_latticepoint.f90.o -c ../src/type/latticepoint.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/latticepoint.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/latticepoint.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [307/522] true [308/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_repulsion.f90.o -c ../src/xtb/repulsion.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/repulsion.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/repulsion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/repulsion.f90:148:41: 148 | real(wp) :: alpha, zeff, kExp, cutoff2 | 1 Warning: Unused variable ‘cutoff2’ declared at (1) [-Wunused-variable] [309/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_anc.f90.o -c ../src/type/anc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/anc.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/anc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/anc.f90:361:18: 361 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:17: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:19: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:21: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:15: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:225:0: 225 | subroutine generate_anc_packed(self,xyz,hess,pr) | Warning: ‘generate_anc_packed’ defined but not used [-Wunused-function] [310/522] true [311/522] true [312/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_generate_wsc.f90.o -c ../src/generate_wsc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/generate_wsc.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/generate_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/generate_wsc.f90:32:24: 32 | integer :: ii,jj,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [313/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_coordinationnumber.f90.o -c ../src/disp/coordinationnumber.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/disp/coordinationnumber.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [314/522] true [315/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_iniq.f90.o -c ../src/iniq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/iniq.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/iniq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iniq.f90:264:35: 264 | pure subroutine iniqcn_gfn2(nat,nel,at,z,xyz,chrg,q,cn) | 1 Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument] ../src/iniq.f90:195:35: 195 | pure subroutine iniqcn_gfn1(nat,nel,at,z,xyz,chrg,kchrg1,q,cn) | 1 Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument] ../src/iniq.f90:128:34: 128 | pure subroutine iniqcn_vtb(nat,nel,at,z,xyz,chrg,q,cn) | 1 Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument] [316/522] true [317/522] true [318/522] true [319/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_rmrottr.f90.o -c ../src/rmrottr.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/rmrottr.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/rmrottr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rmrottr.f90:97:25: 97 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:26: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixx’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:41: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:46: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:31: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fiyy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:51: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fiyz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:36: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fizz’ declared at (1) [-Wunused-variable] [320/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_restart.f90.o -c ../src/restart.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/restart.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/restart.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/restart.f90:174:32: 174 | subroutine write_restart_gff(env,fname,nat,version,topo) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:153:27: 153 | subroutine writeRestart(env,wfx,fname,gfn_method) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:105:19: 105 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/restart.f90:32:41: 32 | subroutine readRestart(env,wfx,fname,n,at,gfn_method,success,verbose) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:46:19: 46 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [321/522] true [322/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [323/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_setparam.f90.o -c ../src/setparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/setparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/setparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [324/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_dftd4.f90.o -c ../src/disp/dftd4.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/disp/dftd4.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/dftd4.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/dftd4.f90:1878:72: 1878 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘dedq’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:1878:53: 1878 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:1692:53: 1692 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:1457:60: 1457 | integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik | 1 Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:823:31: 823 | real(wp) :: twf,norm,aiw(23) | 1 Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:811:42: 811 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6) | 1 Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.f90:811:46: 811 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6) | 1 Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.f90:821:26: 821 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:821:22: 821 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:780:19: 780 | real(wp) :: qmod,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:726:19: 726 | real(wp) :: qmod,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:661:32: 661 | real(wp) :: c8abns,c10abns,r2,cutoff,oor6,oor8,oor10,r,gwgw,r4r2ij | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:591:31: 591 | real(wp) :: twf,norm,aiw(23) | 1 Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:578:38: 578 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns) | 1 Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.f90:578:42: 578 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns) | 1 Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.f90:589:26: 589 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:589:22: 589 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:382:30: 382 | real(wp) :: tmp1, tmp2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:382:36: 382 | real(wp) :: tmp1, tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:277:21: 277 | & gw,c6abns,molc6,molc8,molpol,aout,cout,rout,vout) | 1 Warning: Unused dummy argument ‘c6abns’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.f90:295:27: 295 | integer :: i,ii,ia,j,jj,ja,k,l | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:295:34: 295 | integer :: i,ii,ia,j,jj,ja,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:297:19: 297 | real(wp) :: qmod,oth,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:276:40: 276 | subroutine mdisp(dispm,nat,ndim,at,q,xyz,g_a,g_c, & | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.f90:61:28: 61 | integer :: cncount(0:18) | 1 Warning: Unused variable ‘cncount’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:60:26: 60 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:60:40: 60 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.f90:60:31: 60 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] [325/522] true [326/522] true [327/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [328/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_coulomb.f90.o -c ../src/type/coulomb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/coulomb.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/coulomb.f90:177:21: 177 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [329/522] true [330/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [331/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_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 [332/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_scanparam.f90.o -c ../src/scanparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/scanparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/scanparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scanparam.f90:121:35: 121 | subroutine setup_constrain_pot(n,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [333/522] true [334/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_gfn2.f90.o -c ../src/xtb/gfn2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/gfn2.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn2.f90:878:27: 878 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:818:17: 818 | integer :: iZp, iSh, jSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:33: 817 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:27: 817 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:819:27: 819 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] [335/522] true [336/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_coulomb_gaussian.f90.o -c ../src/coulomb/gaussian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/coulomb/gaussian.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coulomb/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/gaussian.f90:145:21: 145 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [337/522] true [338/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o -c ../src/coulomb/klopmanohno.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/coulomb/klopmanohno.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coulomb/klopmanohno.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/klopmanohno.f90:198:21: 198 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [339/522] true [340/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_gfn0.f90.o -c ../src/xtb/gfn0.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/gfn0.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn0.f90:792:22: 792 | integer :: iZp, iSh | 1 Warning: Unused variable ‘ish’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:792:17: 792 | integer :: iZp, iSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:33: 791 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:27: 791 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:793:27: 793 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:767:35: 767 | subroutine initCoulomb(self, nShell) | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] [341/522] true [342/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [343/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_eeq.f90.o -c ../src/xtb/eeq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/eeq.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/eeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [344/522] true [345/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [346/522] true [347/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_lidep.f90.o -c ../src/lidep.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/lidep.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lidep.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lidep.f90:520:49: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:520:27: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:534:15: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:536:44: 536 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:520:45: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:534:45: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:536:35: 536 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:17: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:35: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:42: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/lidep.f90:520:53: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:473:48: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:473:26: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:491:36: 491 | real(wp),allocatable :: Haux(:,:),Paux(:,:) | 1 Warning: Unused variable ‘haux’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:15: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:489:44: 489 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:473:44: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:487:45: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:489:35: 489 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:17: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:35: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:42: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/lidep.f90:491:46: 491 | real(wp),allocatable :: Haux(:,:),Paux(:,:) | 1 Warning: Unused variable ‘paux’ declared at (1) [-Wunused-variable] ../src/lidep.f90:473:52: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:433:20: 433 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lidep.f90:433:22: 433 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/lidep.f90:423:31: 423 | subroutine buildtrafoX(ndim,ssq,U,sisq,newdim,X) | 1 Warning: Unused dummy argument ‘ssq’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:364:24: 364 | integer :: i,j,imax | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/lidep.f90:364:19: 364 | integer :: i,j,imax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:173:16: 173 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:177:34: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1 Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable] ../src/lidep.f90:177:42: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1 Warning: Unused variable ‘p2’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:19: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:25: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:27: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] [348/522] true [349/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_cube.f90.o -c ../src/cube.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/cube.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/cube.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/cube.f90:221:40: 221 | cb(k,j,i)=cb(k,j,i)+cc*f1*f2 | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/cube.f90:38:41: 38 | subroutine cube(n,nmo,nbf,xyz,at,cmo,eval,occ,fname,basis) | 1 Warning: Unused dummy argument ‘eval’ at (1) [-Wunused-dummy-argument] ../src/cube.f90:63:23: 63 | real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/cube.f90:62:18: 62 | real*8 thr,thr3,intcut,intcut2 | 1 Warning: Unused variable ‘thr3’ declared at (1) [-Wunused-variable] ../src/cube.f90:64:55: 64 | real*8 step,px,py,pz,xinc,yinc,zinc,nx,ny,nz,vv(1),v,est,nfod | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/cube.f90:63:30: 63 | real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3 | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/cube.f90:64:53: 64 | real*8 step,px,py,pz,xinc,yinc,zinc,nx,ny,nz,vv(1),v,est,nfod | 1 Warning: Unused variable ‘vv’ declared at (1) [-Wunused-variable] [350/522] true [351/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_disp_encharges.f90.o -c ../src/disp/encharges.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/disp/encharges.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/encharges.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [352/522] true [353/522] true [354/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [355/522] true [356/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_qpot.f90.o -c ../src/qpot.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/qpot.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/qpot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qpot.f90:202:48: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/qpot.f90:200:13: 200 | logical da | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:27: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:18: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:26: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:23: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:45: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘pi’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:33: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:30: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/qpot.f90:136:18: 136 | integer i,j,k,l,n | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/qpot.f90:28:26: 28 | character(80) fname,a80 | 1 Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable] ../src/qpot.f90:26:33: 26 | integer i,j,k,nread,at(natoms) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/qpot.f90:29:13: 29 | logical ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/qpot.f90:28:22: 28 | character(80) fname,a80 | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/qpot.f90:18:29: 18 | subroutine qpotini(natoms,iat,xyz) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] ../src/qpot.f90:26:22: 26 | integer i,j,k,nread,at(natoms) | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/qpot.f90:27:26: 27 | real(wp) xyzf(3,natoms),rij(3) | 1 Warning: Unused variable ‘xyzf’ declared at (1) [-Wunused-variable] ../src/qpot.f90:57:17: 57 | integer n,nn,j,nat,k,nfix | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/qpot.f90:57:23: 57 | integer n,nn,j,nat,k,nfix | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/qpot.f90:88:30: 88 | subroutine rdfix(nat,n,xyz,iat,fname,fixed) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] [357/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_shiftlp.f90.o -c ../src/shiftlp.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/shiftlp.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/shiftlp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/shiftlp.f90:19:23: 19 | subroutine shiftlp(n,at,ia1,xyz,ex,ey,ez) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/shiftlp.f90: In function ‘shiftlp_’: ../src/shiftlp.f90:66: warning: ‘zsave’ may be used uninitialized in this function [-Wmaybe-uninitialized] 66 | ez=zsave | ../src/shiftlp.f90:65: warning: ‘ysave’ may be used uninitialized in this function [-Wmaybe-uninitialized] 65 | ey=ysave | ../src/shiftlp.f90:64: warning: ‘xsave’ may be used uninitialized in this function [-Wmaybe-uninitialized] 64 | ex=xsave | [358/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [359/522] true [360/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [361/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_shake_module.f90.o -c ../src/shake_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/shake_module.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/shake_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/shake_module.f90:141:2: 141 | 99 ncons = nconsu | 1 Warning: Label 99 at (1) defined but not used [-Wunused-label] ../src/shake_module.f90:168:13: 168 | real(wp) r, dev,dist,denom | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:163:18: 163 | real(wp) vel(3) | 1 Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:161:20: 161 | real(wp) virsh(3),tstep | 1 Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:50:19: 50 | integer :: nbond | 1 Warning: Unused variable ‘nbond’ declared at (1) [-Wunused-variable] ../src/shake_module.f90: In function ‘__xtb_shake_MOD_init_shake’: ../src/shake_module.f90:93: warning: ‘jmin’ may be used uninitialized in this function [-Wmaybe-uninitialized] 93 | conslistu(2,nconsu) = jmin | [362/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [363/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_extern_mopac.f90.o -c ../src/extern/mopac.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/extern/mopac.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/extern/mopac.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/mopac.f90:163:27: 163 | real(wp) :: dum(10),edum | 1 Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:43:15: 43 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [364/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [365/522] true [366/522] true [367/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_turbomole.f90.o -c ../src/io/reader/turbomole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/reader/turbomole.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/turbomole.f90: In function ‘__xtb_io_reader_turbomole_MOD_readmoleculecoord’: ../src/io/reader/turbomole.f90:193:10: warning: ‘cell_vectors’ may be used uninitialized in this function [-Wmaybe-uninitialized] 193 | if (cell_vectors /= periodic) then | ^ ../src/io/reader/turbomole.f90:114: warning: ‘.lattice_string’ may be used uninitialized in this function [-Wmaybe-uninitialized] 114 | lattice_string = '' | [368/522] true [369/522] true [370/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_io_reader_xyz.f90.o -c ../src/io/reader/xyz.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/io/reader/xyz.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/xyz.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/xyz.f90:48:42: 48 | character(len=:),allocatable :: message | 1 Warning: Unused variable ‘message’ declared at (1) [-Wunused-variable] [371/522] true [372/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_filetools.F90.o -c ../src/filetools.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran ../src/filetools.F90:87:20: 87 | logical :: opened | 1 Warning: Unused variable ‘opened’ declared at (1) [-Wunused-variable] [373/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [374/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [375/522] true [376/522] true [377/522] true [378/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_slater.f90.o -c ../src/slater.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/slater.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/slater.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [379/522] true [380/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_metadynamic.f90.o -c ../src/metadynamic.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/metadynamic.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/metadynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/metadynamic.f90:89:46: 89 | subroutine load_metadynamic(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:21:37: 21 | subroutine metadynamic(metavar,nat,at,xyz,ebias,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:36:18: 36 | integer :: i,j,k,iref,iat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/metadynamic.f90:36:20: 36 | integer :: i,j,k,iref,iat | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [381/522] true [382/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_spline2.f90.o -c ../src/spline2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/spline2.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/spline2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [383/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_spline3.f90.o -c ../src/spline3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/spline3.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/spline3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/spline3.f90:151:27: 151 | integer ( kind = 4 ) info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] [384/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_splitparam.f90.o -c ../src/splitparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/splitparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/splitparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/splitparam.f90:94:25: 94 | subroutine cmafrag(nat,at,xyz,r1,r2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/splitparam.f90:67:18: 67 | real(wp) :: r,f,rco | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/splitparam.f90:66:20: 66 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [385/522] true [386/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_basisset.f90.o -c ../src/xtb/basisset.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/basisset.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/basisset.f90:322:12: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:322:14: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:322:16: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:322:18: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:40:19: 40 | integer :: elem,valao | 1 Warning: Unused variable ‘elem’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:16: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:34: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:37: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘k2’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:78: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘npqr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:47: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘pp’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:82: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘pqn’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:61: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘qi’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:44: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘split1’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:58: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘zcnfr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:52: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘zqfr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:407:0: 407 | subroutine set_s_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao) | Warning: ‘set_s_function’ defined but not used [-Wunused-function] ../src/xtb/basisset.f90:450:0: 450 | subroutine set_p_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao) | Warning: ‘set_p_function’ defined but not used [-Wunused-function] [387/522] true [388/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_axis_trafo.f90.o -c ../src/axis_trafo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/axis_trafo.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/axis_trafo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/axis_trafo.f90:369:5: 369 | 80 evec(j,1)=-evec(j,1) | 1 Warning: Label 80 at (1) defined but not used [-Wunused-label] ../src/axis_trafo.f90:305:34: 305 | subroutine axis3(mode,numat,nat,coord,coordout,eig) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:206:30: 206 | subroutine axisvec(numat,nat,xyz,aa,bb,cc,evec) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:115:28: 115 | subroutine axis2(numat,nat,xyz,aa,bb,cc,avmom,sumw) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:21:27: 21 | subroutine axis(numat,nat,xyz,aa,bb,cc) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] [389/522] true [390/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_geometry.f90.o -c ../src/main/geometry.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/main/geometry.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/main/geometry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/main/geometry.f90:130:16: 130 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:18: 131 | integer :: iat,jat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:132:19: 132 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:132:24: 132 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:130:18: 130 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:22: 131 | integer :: iat,jat | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:130:20: 130 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:130:22: 130 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:130:24: 130 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:148:25: 148 | real(wp) :: moments(3) | 1 Warning: Unused variable ‘moments’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:319:18: 319 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:319:23: 319 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:458:29: 458 | subroutine calc_torsions(n,at,xyz,bond,maxtrsn,ntrsn,trsn,it) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/geometry.f90:287:18: 287 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:287:23: 287 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:415:27: 415 | subroutine calc_angles(n,at,xyz,bond,maxbend,nbend,bend,ib) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [391/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [392/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_geosum.f90.o -c ../src/geosum.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/geosum.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/geosum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/geosum.f90:34:22: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:16: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:28: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:35:26: 35 | integer nt,a,b,ia,ib,ja,jb,ii,jj,lin,linij | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:26: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:34: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1 Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:13: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘nm’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:20: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘xxx’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:24: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘yyy’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:28: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘zzz’ declared at (1) [-Wunused-variable] [393/522] true [394/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_solv_gbobc.f90.o -c ../src/solv/gbobc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/solv/gbobc.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/gbobc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/gbobc.f90:1699:18: 1699 | real(wp) rcutn2,lrcut2,srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1611:18: 1611 | real(wp) rcutn2,lrcut2,srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1546:21: 1546 | real(wp) :: uj,uj3,ah3uj2 | 1 Warning: Unused variable ‘uj3’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1459:18: 1459 | integer iat,jat | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1460:24: 1460 | integer ip,jj,nnj,nnk | 1 Warning: Unused variable ‘nnk’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1210:31: 1210 | real(wp) :: rh1,rhr1,r24,rh2,r1,aprh1,r12 | 1 Warning: Unused variable ‘rh2’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1164:16: 1164 | real(wp) alpi,beti,gami | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1164:21: 1164 | real(wp) alpi,beti,gami | 1 Warning: Unused variable ‘beti’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1164:26: 1164 | real(wp) alpi,beti,gami | 1 Warning: Unused variable ‘gami’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1115:12: 1115 | integer i,j,kk | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1115:14: 1115 | integer i,j,kk | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1115:17: 1115 | integer i,j,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1090:18: 1090 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1029:25: 1029 | real(wp) :: hbed,dhbed | 1 Warning: Unused variable ‘dhbed’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1031:23: 1031 | real(wp) :: sfw,dsfw,w3,w2,w1 | 1 Warning: Unused variable ‘dsfw’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1029:19: 1029 | real(wp) :: hbed,dhbed | 1 Warning: Unused variable ‘hbed’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1032:16: 1032 | integer :: j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1030:32: 1030 | real(wp) :: smaxd,sasad,sasaw | 1 Warning: Unused variable ‘sasaw’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1031:18: 1031 | real(wp) :: sfw,dsfw,w3,w2,w1 | 1 Warning: Unused variable ‘sfw’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1031:32: 1031 | real(wp) :: sfw,dsfw,w3,w2,w1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1031:29: 1031 | real(wp) :: sfw,dsfw,w3,w2,w1 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1031:26: 1031 | real(wp) :: sfw,dsfw,w3,w2,w1 | 1 Warning: Unused variable ‘w3’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1033:22: 1033 | real(wp) :: wbh,wah | 1 Warning: Unused variable ‘wah’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1033:18: 1033 | real(wp) :: wbh,wah | 1 Warning: Unused variable ‘wbh’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1021:36: 1021 | pure subroutine compute_fhb(this,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/solv/gbobc.f90:880:33: 880 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:877:33: 877 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:873:19: 873 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:863:57: 863 | subroutine compute_gb_egrad(this,q,gborn,ghb,gradient,lpr) | 1 Warning: Unused dummy argument ‘lpr’ at (1) [-Wunused-dummy-argument] ../src/solv/gbobc.f90:873:23: 873 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:880:24: 880 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:880:28: 880 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:880:20: 880 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:727:30: 727 | real(wp) :: gg,expa,epu,aii,egb | 1 Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:728:33: 728 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:725:33: 725 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:720:19: 720 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:709:66: 709 | pure subroutine compute_gb_damat(this,q,gborn,ghb,dAmatdr,Afac,lpr) | 1 Warning: Unused dummy argument ‘lpr’ at (1) [-Wunused-dummy-argument] ../src/solv/gbobc.f90:720:23: 720 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:728:24: 728 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:728:28: 728 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:728:20: 728 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:636:22: 636 | integer :: i,j,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:560:33: 560 | real(wp) :: aa,r2,gg,iepsu,arg,bp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:556:34: 556 | real(wp), allocatable :: fhb(:) | 1 Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:554:22: 554 | integer :: i,j,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:489:59: 489 | real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:) | 1 Warning: Unused variable ‘wang’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:489:35: 489 | real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:) | 1 Warning: Unused variable ‘xang’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:489:43: 489 | real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:) | 1 Warning: Unused variable ‘yang’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:489:51: 489 | real(wp), allocatable :: xang(:),yang(:),zang(:),wang(:) | 1 Warning: Unused variable ‘zang’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:373:24: 373 | character(len=80) a80 | 1 Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:370:55: 370 | real(wp) :: gamma_in, rvdwscal, tmp(94), gstate, dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:372:13: 372 | logical ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:368:19: 368 | integer :: i,fix,inum,ich | 1 Warning: Unused variable ‘fix’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:371:40: 371 | character(len=:),allocatable :: fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:374:38: 374 | type(gbsa_parameter) :: gfn_solvent | 1 Warning: Unused variable ‘gfn_solvent’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:368:28: 368 | integer :: i,fix,inum,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:368:24: 368 | integer :: i,fix,inum,ich | 1 Warning: Unused variable ‘inum’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:369:18: 369 | real(wp) :: rad | 1 Warning: Unused variable ‘rad’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:235:24: 235 | character(len=80) a80 | 1 Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:232:45: 232 | real(wp) :: gamma_in, tmp(94), gstate, dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:230:19: 230 | integer :: i,fix,inum,ich | 1 Warning: Unused variable ‘fix’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:232:23: 232 | real(wp) :: gamma_in, tmp(94), gstate, dum | 1 Warning: Unused variable ‘gamma_in’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:232:40: 232 | real(wp) :: gamma_in, tmp(94), gstate, dum | 1 Warning: Unused variable ‘gstate’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:230:15: 230 | integer :: i,fix,inum,ich | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:230:24: 230 | integer :: i,fix,inum,ich | 1 Warning: Unused variable ‘inum’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:231:18: 231 | real(wp) :: rad | 1 Warning: Unused variable ‘rad’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:232:32: 232 | real(wp) :: gamma_in, tmp(94), gstate, dum | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/solv/gbobc.f90:1753:0: 1753 | pure subroutine update_dist_gbsa(this,xyz) | Warning: ‘update_dist_gbsa’ defined but not used [-Wunused-function] ../src/solv/gbobc.f90: In function ‘__xtb_solv_gbobc_MOD_compute_brad_sasa’: ../src/solv/gbobc.f90:1372: warning: ‘r1’ may be used uninitialized in this function [-Wmaybe-uninitialized] 1372 | dgj=-2.0_wp*rhab/ab+(rhab-lnab)*r1*r1 | ../src/solv/gbobc.f90:1210:34: note: ‘r1’ was declared here 1210 | real(wp) :: rh1,rhr1,r24,rh2,r1,aprh1,r12 | ^ [395/522] true [396/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_pocketscan.f90.o -c ../src/pocketscan.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/pocketscan.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pocketscan.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pocketscan.f90:120:30: 120 | subroutine pocketrotation(n,at,xyz,cma,trfm,ifrag,npath,xyzpath) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/pocketscan.f90:243:16: 243 | integer i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90:234:30: 234 | subroutine ifaceaxis(numat,nat,coord,cma1,trfm1,cma2,trfm2) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/pocketscan.f90:32:20: 32 | character*2 dummy | 1 Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90:28:22: 28 | integer n,at(n),i,j,k,ios,ierr,npath,nout | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90: In function ‘pocketrotation_’: ../src/pocketscan.f90:150: warning: ‘__var_1_mmb.offset’ is used uninitialized in this function [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized] ../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized] ../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized] ../src/pocketscan.f90:150: warning: ‘__var_1_mmb.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized] [397/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_intmodes.f90.o -c ../src/intmodes.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/intmodes.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/intmodes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intmodes.f90:897:26: 897 | pure subroutine cma(nat,at,xyz,sum3) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:275:18: 275 | integer :: i,j,k,m,nm,ntot,mm | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:275:33: 275 | integer :: i,j,k,m,nm,ntot,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:264:33: 264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,& | 1 Warning: Unused dummy argument ‘molvec’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:264:40: 264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,& | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:276:16: 276 | real(wp) :: r,sum3(3),one | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:106:21: 106 | subroutine bzmat(n,at,xyzin,bmat) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:117:23: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:29: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:26: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:37:28: 37 | integer k,j,kl,l,lend,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:36:16: 36 | real(wp) norm | 1 Warning: Unused variable ‘norm’ declared at (1) [-Wunused-variable] ../src/intmodes.f90: In function ‘__xtb_intmodes_MOD_xyzint’: ../src/intmodes.f90:606: warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] 606 | if(i.gt.2)nb(i)=na(k) | [398/522] true [399/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_sphereparam.f90.o -c ../src/sphereparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/sphereparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/sphereparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/sphereparam.f90:655:24: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:655:35: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:655:38: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:606:24: 606 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1 | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:606:38: 606 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1 | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:512:39: 512 | subroutine polynomial_cavity_all(nat,at,xyz,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:478:40: 478 | subroutine polynomial_cavity_frag(nat,at,xyz,fragment,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:444:40: 444 | subroutine polynomial_cavity_list(nat,at,xyz,nlist,list,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:410:37: 410 | subroutine logfermi_cavity_all(nat,at,xyz,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:374:38: 374 | subroutine logfermi_cavity_frag(nat,at,xyz,fragment,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:338:38: 338 | subroutine logfermi_cavity_list(nat,at,xyz,nlist,list,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:154:28: 154 | subroutine getsphererad(n,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:160:21: 160 | real(wp) :: dum(3),rx,ry,rz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:22: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:16: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:18: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:20: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable] [400/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_constr.f90.o -c ../src/constr.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/constr.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/constr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constr.f90:174:13: 174 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/constr.f90:174:60: 174 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/constr.f90:173:66: 173 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constr.f90:491:42: 491 | & sinphi,cosphi,onenner,thab,thbc,& | 1 Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/constr.f90:491:47: 491 | & sinphi,cosphi,onenner,thab,thbc,& | 1 Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:496:52: 496 | & xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1 Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] ../src/constr.f90:649:15: 649 | & rab,rbc,thab,thbc,valijk,& | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/constr.f90:649:19: 649 | & rab,rbc,thab,thbc,valijk,& | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:650:31: 650 | & vecnorm,nan,nbn,rcn,snanb,deter,pi,test,& | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:26: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:29: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:23: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable] ../src/constr.f90:773:27: 773 | & vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/constr.f90:773:32: 773 | & vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] [401/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_dynamic.f90.o -c ../src/dynamic.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/dynamic.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/dynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dynamic.f90:833:0: 833 | integer function irand(n) | Warning: ‘irand’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] ../src/dynamic.f90:743:3: 743 | 20 call ekinet(n,velo,mass,edum) | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/dynamic.f90:837:9: 837 | irand=n*x | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:241:10: 241 | cdump0=dump_md/tstep_md ! scoord | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:242:12: 242 | dumpstep=dump_md2/tstep_md ! xyz | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:265:8: 265 | nmax=tmax*1000/tstep0 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:266:24: 266 | if(gmd.or.equi) nmax=maxtime*1000/tstep0 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:835:14: 835 | real x,ranf | 1 Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:800:35: 800 | integer, allocatable :: iseed(:) | 1 Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:799:14: 799 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:796:14: 796 | real x,ranf | 1 Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:773:40: 773 | character(len=:),allocatable :: fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:725:23: 725 | integer iat(n),nh,i,j | 1 Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:670:26: 670 | subroutine blocksd(n,nbl,ebl,tbl,esd,tsd) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/dynamic.f90:179:38: 179 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘b0’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:179:32: 179 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘be’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:176:47: 176 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2 | 1 Warning: Unused variable ‘cma’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:176:40: 176 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2 | 1 Warning: Unused variable ‘dav’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:179:49: 179 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:177:18: 177 | real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:174:24: 174 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1 Warning: Unused variable ‘eel1’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:17: 180 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:200:19: 200 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:198:40: 198 | character(len=:),allocatable :: fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:28: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:58: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ibin’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:22: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:34: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:31: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:25: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:37: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:59: 180 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:42: 182 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:174:19: 174 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:191:36: 191 | real(wp),allocatable :: tmpx(:,:) | 1 Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:179:42: 179 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘tor’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:177:37: 177 | real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/dynamic.f90: In function ‘__xtb_dynamic_MOD_md’: ../src/dynamic.f90:195:40: warning: ‘intgeoav.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] 195 | real(wp),allocatable :: intgeoav(:,:),tmpg(:,:) | ^ ../src/dynamic.f90:195:40: warning: ‘intgeoav.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] ../src/dynamic.f90:576: warning: ‘intgeo.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] 576 | if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes | ../src/dynamic.f90:576: warning: ‘intgeo.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] ../src/dynamic.f90:592: warning: ‘intgeo.dim[1].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] 592 | intgeoav = intgeoav + intgeo-intgeo0 | ../src/dynamic.f90:592: warning: ‘intgeo.dim[0].lbound’ may be used uninitialized in this function [-Wmaybe-uninitialized] 592 | intgeoav = intgeoav + intgeo-intgeo0 | ../src/dynamic.f90:195:50: warning: ‘tmpg.offset’ may be used uninitialized in this function [-Wmaybe-uninitialized] 195 | real(wp),allocatable :: intgeoav(:,:),tmpg(:,:) | ^ ../src/dynamic.f90:572: warning: ‘tmpg.dim[0].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] 572 | tmpg=mol%xyz/aatoau | ../src/dynamic.f90:195:50: warning: ‘tmpg.dim[1].stride’ may be used uninitialized in this function [-Wmaybe-uninitialized] 195 | real(wp),allocatable :: intgeoav(:,:),tmpg(:,:) | ^ ../src/dynamic.f90:572: warning: ‘tmpg.dim[1].ubound’ may be used uninitialized in this function [-Wmaybe-uninitialized] 572 | tmpg=mol%xyz/aatoau | [402/522] true [403/522] true [404/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_type_dummycalc.f90.o -c ../src/type/dummycalc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/type/dummycalc.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/dummycalc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/dummycalc.f90:188:36: 188 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/type/dummycalc.f90:188:25: 188 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/type/dummycalc.f90:109:19: 109 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/type/dummycalc.f90:112:19: 112 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/type/dummycalc.f90:110:25: 110 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/type/dummycalc.f90:70:63: 70 | subroutine singlepoint(self, env, mol, wfn, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] [405/522] true [406/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_scc_core.f90.o -c ../src/scc_core.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/scc_core.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/scc_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scc_core.f90:851:8: 851 | H4 = H | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/scc_core.f90:852:8: 852 | S4 = S | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/scc_core.f90:1459:23: 1459 | real(wp) ntot,fracz | 1 Warning: Unused variable ‘fracz’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1447:59: 1447 | subroutine setzshell(xtbData,n,at,nshell,z,zsh,e,gfn_method) | 1 Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1460:41: 1460 | integer i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1460:14: 1460 | integer i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1460:36: 1460 | integer i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1413:59: 1413 | subroutine iniqshell(xtbData,n,at,z,nshell,q,qsh,gfn_method) | 1 Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1424:45: 1424 | integer :: i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1424:18: 1424 | integer :: i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1424:40: 1424 | integer :: i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1394:17: 1394 | integer i,j,ii,jj,js,mmm(20) | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1352:23: 1352 | integer i,j,ii,jj,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1346:19: 1346 | subroutine mpopsh(n,nao,nshell,ao2sh,S,P,qsh) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1320:23: 1320 | integer i,j,ii,jj,ij,is,js,mmm(20) | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1290:19: 1290 | subroutine mpopao(n,nao,S,P,qao) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1271:23: 1271 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1271:26: 1271 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1271:29: 1271 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1242:23: 1242 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1242:26: 1242 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1242:29: 1242 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1200:31: 1200 | subroutine get_wiberg(n,ndim,at,xyz,P,S,wb,fila2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1020:31: 1020 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1020:34: 1020 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1020:24: 1020 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1020:28: 1020 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1020:26: 1020 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:924:36: 924 | subroutine solve(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:936:12: 936 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:936:42: 936 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:936:14: 936 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:936:46: 936 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:936:39: 936 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:939:20: 939 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:939:23: 939 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:939:14: 939 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:939:17: 939 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:822:37: 822 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:837:35: 837 | real(wp),allocatable :: aux (:) | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:835:12: 835 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:822:33: 822 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:835:42: 835 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:835:14: 835 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:835:46: 835 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:835:39: 835 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:838:20: 838 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:838:23: 838 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:838:14: 838 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:838:17: 838 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:755:21: 755 | real(wp) :: rab,k1,rr,r,rf1,rf2,dx,dy,dz,a | 1 Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:698:33: 698 | pure subroutine electro_gbsa(n,at,gab,fhb,dqsh,es,scc) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:709:17: 709 | real(wp) :: h,t | 1 Warning: Unused variable ‘h’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:708:19: 708 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:709:19: 709 | real(wp) :: h,t | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:656:28: 656 | pure subroutine electro(n,at,nbf,nshell,ies,H0,P,dq,dqsh,es,scc) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:669:18: 669 | real(wp) :: ehb ! not used | 1 Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:672:18: 672 | real(wp) :: h,t | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:370:22: 370 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:370:18: 370 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:19: 367 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:21: 368 | integer :: ishell,jshell | 1 Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:24: 367 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:28: 368 | integer :: ishell,jshell | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:29: 367 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:31: 367 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:33: 367 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:240:23: 240 | & minpr,pr, & | 1 Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:230:33: 230 | & q,dipm,qp,qq,qlmom,qsh,zsh, & | 1 Warning: Unused dummy argument ‘qlmom’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:369:17: 369 | real(wp) :: t8,t9 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:369:20: 369 | real(wp) :: t8,t9 | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:370:26: 370 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:238:35: 238 | & H0,H,S,dpint,qpint,X,P,ies, & | 1 Warning: Unused dummy argument ‘x’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:228:26: 228 | subroutine scc(env,xtbData,solver,n,nel,nopen,ndim,ndp,nqp,nmat,nshell, & | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:150:61: 150 | H,S,dpint,qpint,vs,vd,vq,aoat2,ao2sh) | 1 Warning: Unused dummy argument ‘ao2sh’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:149:32: 149 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:175:21: 175 | integer :: ishell,jshell | 1 Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:175:28: 175 | integer :: ishell,jshell | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:174:23: 174 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:149:44: 149 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,& | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:176:25: 176 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:176:28: 176 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:176:32: 176 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:110:32: 110 | & H0, S, shellShift, aoat2, ao2sh) | 1 Warning: Unused dummy argument ‘aoat2’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:109:33: 109 | subroutine buildIsotropicH1(n, at, ndim, nshell, nmat, matlist, H, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:128:18: 128 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:127:17: 127 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:127:20: 127 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:127:23: 127 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:129:21: 129 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:129:24: 129 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:129:28: 129 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] [407/522] true [408/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_eeq_model.f90.o -c ../src/eeq_model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/eeq_model.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/eeq_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/eeq_model.f90:1056:18: 1056 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1065:17: 1065 | real(wp) :: cf ! convergence factor | 1 Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1046:41: 1046 | real(wp),allocatable :: dAmatdL(:,:,:) | 1 Warning: Unused variable ‘damatdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1064:36: 1064 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1056:27: 1056 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1048:41: 1048 | real(wp),allocatable :: dXvecdL(:,:,:) | 1 Warning: Unused variable ‘dxvecdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1089:35: 1089 | real(wp) :: gborn, ghb, r3, erft | 1 Warning: Unused variable ‘erft’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1064:20: 1064 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1055:20: 1055 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1055:27: 1055 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1053:20: 1053 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1053:22: 1053 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1054:16: 1054 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1054:26: 1054 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1089:29: 1089 | real(wp) :: gborn, ghb, r3, erft | 1 Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1067:36: 1067 | integer :: rep_cn(3) | 1 Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1054:23: 1054 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1064:27: 1064 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1064:46: 1064 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1063:20: 1063 | integer :: wscAt | 1 Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:724:18: 724 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:36: 732 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:724:27: 724 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:20: 732 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:723:20: 723 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:723:27: 723 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:721:20: 721 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:721:22: 721 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:722:16: 722 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:722:26: 722 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:722:23: 722 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:27: 732 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:46: 732 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:731:20: 731 | integer :: wscAt | 1 Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:372:27: 372 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:370:20: 370 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:370:22: 370 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:264:17: 264 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:264:20: 264 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:264:23: 264 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:266:19: 266 | real(wp) :: t(3),dtmp,stmp(3) | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:234:17: 234 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:234:20: 234 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:234:23: 234 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:236:19: 236 | real(wp) :: t(3) | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:177:22: 177 | real(wp) :: gVec(3) | 1 Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:176:17: 176 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:176:22: 176 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:176:27: 176 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:174:33: 174 | integer :: iat, jat, wscAt, ii | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:176:32: 176 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:94:44: 94 | real(wp) :: gamii, gamij, riw(3), gVec(3) | 1 Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:93:34: 93 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:93:39: 93 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:93:44: 93 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:93:49: 93 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] [409/522] true [410/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o -c ../src/gfnff/gfnff_qm.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/gfnff_qm.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_qm.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_qm.f90:22:26: 22 | subroutine gfnffqmsolve(pr,A,S,ovlp,et,ndim,nopen,nel,eel,focc,e) | 1 Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] [411/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_grad_core.f90.o -c ../src/grad_core.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/grad_core.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/grad_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/grad_core.f90:33:41: 33 | integer, private, parameter :: mmm(20)=(/1,2,2,2,3,3,3,3,3,3,4,4,4,4,4,4,4,4,4,4/) | 1 Warning: Unused PRIVATE module variable ‘mmm’ declared at (1) [-Wunused-value] ../src/grad_core.f90:75:35: 75 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:75:39: 75 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘rf1’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:75:43: 75 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘rf2’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:76:42: 76 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:76:46: 76 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t11’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:76:54: 76 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t13’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:76:34: 76 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:76:50: 76 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t35’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:52:38: 52 | real(wp), allocatable :: dcm5(:,:) | 1 Warning: Unused variable ‘dcm5’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:53:17: 53 | integer :: iat,jat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:53:21: 53 | integer :: iat,jat | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] [412/522] true [413/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o -c ../src/gfnff/gfnff_eg.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/gfnff_eg.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_eg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_eg.f90:2779:13: 2779 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2780:13: 2780 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2781:13: 2781 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2782:13: 2782 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2783:12: 2783 | rn=tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2518:13: 2518 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2519:13: 2519 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2520:13: 2520 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2521:13: 2521 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2522:13: 2522 | rn =tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2621:13: 2621 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2210:13: 2210 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2211:13: 2211 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2212:13: 2212 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2213:13: 2213 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2214:13: 2214 | rn =tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2225:13: 2225 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2226:13: 2226 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2227:13: 2227 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2228:13: 2228 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2357:13: 2357 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1305:12: 1305 | A4=A | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1306:12: 1306 | x4=x | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:704:68: 704 | write(*,'(10x,"No H-atom found in this bond ",i0,1x,i0)'), iat,jat | 1 Warning: Legacy Extension: Comma before i/o item list at (1) ../src/gfnff/gfnff_eg.f90:3180:38: 3180 | pure elemental function create_erfCN(k,r,r0) result(count) | 1 Warning: Unused dummy argument ‘k’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2900:43: 2900 | real*8 drax(3),drbx(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2903:18: 2903 | real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo | 1 Warning: Unused variable ‘ex1_a’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2903:24: 2903 | real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo | 1 Warning: Unused variable ‘ex2_a’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2907:16: 2907 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2907:20: 2907 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2907:24: 2907 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2910:15: 2910 | integer i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2910:17: 2910 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2905:15: 2905 | real*8 qa,qb,qx | 1 Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2899:44: 2899 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1 Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2899:49: 2899 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1 Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2650:23: 2650 | integer A,B,H,C,D,n,at(n) | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2669:18: 2669 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2664:47: 2664 | real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3) | 1 Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2663:35: 2663 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2663:58: 2663 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2662:43: 2662 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2674:17: 2674 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2673:70: 2673 | real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2670:36: 2670 | real*8 gi,gi_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2665:51: 2665 | real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2678:16: 2678 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2678:20: 2678 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2678:24: 2678 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2685:36: 2685 | logical mask_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2675:31: 2675 | real*8 aterm,dterm,nbterm | 1 Warning: Unused variable ‘nbterm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2681:35: 2681 | real*8 outl_nb(topo%nb(20,B)),outl_nb_tot | 1 Warning: Unused variable ‘outl_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2681:47: 2681 | real*8 outl_nb(topo%nb(20,B)),outl_nb_tot | 1 Warning: Unused variable ‘outl_nb_tot’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2660:44: 2660 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2661:32: 2661 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2661:53: 2661 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2672:45: 2672 | real*8 rahprbh,ranbprbnb(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2669:24: 2669 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2658:51: 2658 | real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3 | 1 Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2660:49: 2660 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2661:73: 2661 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2661:94: 2661 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2671:37: 2671 | real*8 tmp1,tmp2(topo%nb(20,B)) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2659:15: 2659 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2659:18: 2659 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2659:21: 2659 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2389:23: 2389 | integer A,B,H,C,D,n,at(n) | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2408:18: 2408 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2403:47: 2403 | real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3) | 1 Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2402:35: 2402 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2402:58: 2402 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2401:43: 2401 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2413:17: 2413 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2412:70: 2412 | real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2409:36: 2409 | real*8 gi,gi_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2404:51: 2404 | real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2417:16: 2417 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2417:20: 2417 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2417:24: 2417 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2423:36: 2423 | logical mask_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2399:44: 2399 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2400:32: 2400 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2400:53: 2400 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2411:45: 2411 | real*8 rahprbh,ranbprbnb(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2408:24: 2408 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2397:51: 2397 | real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3 | 1 Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2399:49: 2399 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2400:73: 2400 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2400:94: 2400 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2410:37: 2410 | real*8 tmp1,tmp2(topo%nb(20,B)) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2398:15: 2398 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2398:18: 2398 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2398:21: 2398 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2095:17: 2095 | integer C,D | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2066:43: 2066 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2078:17: 2078 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2082:16: 2082 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2082:20: 2082 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2082:24: 2082 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2064:44: 2064 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2073:18: 2073 | real*8 ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2064:49: 2064 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2063:15: 2063 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2063:18: 2063 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2063:21: 2063 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1771:18: 1771 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1767:43: 1767 | real*8 drah(3),drbh(3),drab(3),drm(3),dralp(3),drblp(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1776:17: 1776 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1780:16: 1780 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1780:20: 1780 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1780:24: 1780 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1765:44: 1765 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1771:24: 1771 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1765:49: 1765 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1764:15: 1764 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1764:18: 1764 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1764:21: 1764 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1537:18: 1537 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1533:43: 1533 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1542:17: 1542 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1546:16: 1546 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1546:20: 1546 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1546:24: 1546 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1531:44: 1531 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1537:24: 1537 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1531:49: 1531 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1530:15: 1530 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1530:18: 1530 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1530:21: 1530 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1367:43: 1367 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1373:17: 1373 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1377:16: 1377 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1377:20: 1377 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1377:24: 1377 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1370:27: 1370 | real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1365:15: 1365 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1365:18: 1365 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1365:21: 1365 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1250:36: 1250 | real(wp) :: gammij,tsqrt2pi,r2,tmp | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1226:49: 1226 | subroutine goed_gfnff(env,single,n,at,sqrab,r,chrg,eeqtmp,cn,q,es,gbsa,param,topo) | 1 Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:1132:16: 1132 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1132:44: 1132 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1140:28: 1140 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1140:20: 1140 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1136:27: 1136 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1133:27: 1133 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1133:35: 1133 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1133:53: 1133 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1133:16: 1133 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1137:37: 1137 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1133:19: 1133 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1132:21: 1132 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1139:19: 1139 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1134:36: 1134 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1135:18: 1135 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1139:28: 1139 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1138:45: 1138 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1133:47: 1133 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1133:41: 1133 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1134:53: 1134 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1136:19: 1136 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1132:27: 1132 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1132:33: 1132 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1132:39: 1132 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1136:32: 1136 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1136:38: 1136 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1077:59: 1077 | subroutine egtors_nci_mul(i,j,k,l,rn,phi0,tshift,n,at,xyz,e,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:1087:16: 1087 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1087:47: 1087 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1090:23: 1090 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1090:38: 1090 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1090:53: 1090 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1095:28: 1095 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1094:51: 1094 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1090:30: 1090 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1090:45: 1090 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1095:20: 1095 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1094:43: 1094 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1091:27: 1091 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:27: 1088 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:35: 1088 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:53: 1088 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:16: 1088 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1092:37: 1092 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:19: 1088 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1087:24: 1087 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1094:19: 1094 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1089:36: 1089 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1090:18: 1090 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1094:28: 1094 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1093:45: 1093 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:47: 1088 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:41: 1088 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1089:53: 1089 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1089:22: 1089 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1089:31: 1089 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1092:22: 1092 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1091:19: 1091 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1087:30: 1087 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1087:36: 1087 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1087:42: 1087 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1091:32: 1091 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1091:38: 1091 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:999:16: 999 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:999:44: 999 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1003:27: 1003 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1000:27: 1000 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1000:35: 1000 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1000:53: 1000 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1000:16: 1000 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1004:37: 1004 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1000:19: 1000 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:999:21: 999 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1001:36: 1001 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1002:18: 1002 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1006:28: 1006 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1000:47: 1000 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1000:41: 1000 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1001:53: 1001 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1003:19: 1003 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:999:27: 999 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:999:33: 999 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:999:39: 999 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1003:32: 1003 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1003:38: 1003 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:940:48: 940 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:944:28: 944 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:56: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:944:20: 944 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:48: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:942:41: 942 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:942:34: 942 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:942:27: 942 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:942:20: 942 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:940:45: 940 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:941:43: 941 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:941:37: 941 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:940:41: 940 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:19: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:942:49: 942 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:33: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:23: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:28: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:41: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:942:45: 942 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:943:37: 943 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:944:41: 944 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:941:22: 941 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:944:38: 944 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:941:50: 941 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:941:34: 941 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:941:28: 941 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:868:48: 868 | subroutine egbend_nci_mul(j,i,k,c0,fc,n,at,xyz,e,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:881:48: 881 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:880:23: 880 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:880:38: 880 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:880:53: 880 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:885:28: 885 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:56: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:880:30: 880 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:880:45: 880 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:885:20: 885 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:48: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:883:41: 883 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:883:34: 883 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:883:27: 883 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:883:20: 883 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:881:45: 881 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:882:43: 882 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:882:37: 882 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:881:41: 881 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:19: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:883:49: 883 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:33: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:23: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:28: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:41: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:883:45: 883 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:884:37: 884 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:885:41: 885 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:879:22: 879 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:879:31: 879 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:882:22: 882 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:885:38: 885 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:882:50: 882 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:882:34: 882 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:882:28: 882 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:816:48: 816 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:820:28: 820 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:56: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:820:20: 820 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:48: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:818:41: 818 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:818:34: 818 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:818:27: 818 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:818:20: 818 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:816:45: 816 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:817:43: 817 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:817:37: 817 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:816:41: 816 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:19: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:818:49: 818 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:33: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:23: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:28: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:41: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:818:45: 818 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:819:37: 819 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:820:41: 820 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:817:22: 817 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:820:38: 820 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:817:50: 817 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:817:34: 817 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:817:28: 817 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:759:24: 759 | real(wp) :: cn_thr | 1 Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:764:23: 764 | integer :: iA,jA,jH | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:764:26: 764 | integer :: iA,jA,jH | 1 Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:762:21: 762 | integer :: lin,linAH | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:762:27: 762 | integer :: lin,linAH | 1 Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:620:51: 620 | subroutine egbond(i,iat,jat,rab,rij,drij,n,at,xyz,e,g,topo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:636:15: 636 | integer j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:98:49: 98 | real*8 repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28 | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:100:25: 100 | real*8 omega,rn,dr,g3tmp(3,3),g4tmp(3,4) | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:96:37: 96 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:93:17: 93 | integer hbA,hbB | 1 Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:93:21: 93 | integer hbA,hbB | 1 Warning: Unused variable ‘hbb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:94:17: 94 | integer lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:60:50: 60 | subroutine gfnff_eg(env,pr,n,ichrg,at,xyz,makeq,g,etot,res_gff, & | 1 Warning: Unused dummy argument ‘makeq’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:100:19: 100 | real*8 omega,rn,dr,g3tmp(3,3),g4tmp(3,4) | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:99:36: 99 | real*8 gammij,eesinf,etmp,phi,valijklff | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:96:24: 96 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘qq0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:97:44: 97 | real*8 dx,dy,dz,yy,t4,t5,t6,alpha,t20 | 1 Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:96:54: 96 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘t22’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:98:56: 98 | real*8 repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28 | 1 Warning: Unused variable ‘t28’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:96:58: 96 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘t39’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:97:28: 97 | real*8 dx,dy,dz,yy,t4,t5,t6,alpha,t20 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:97:31: 97 | real*8 dx,dy,dz,yy,t4,t5,t6,alpha,t20 | 1 Warning: Unused variable ‘t5’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:97:34: 97 | real*8 dx,dy,dz,yy,t4,t5,t6,alpha,t20 | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:99:46: 99 | real*8 gammij,eesinf,etmp,phi,valijklff | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:97:25: 97 | real*8 dx,dy,dz,yy,t4,t5,t6,alpha,t20 | 1 Warning: Unused variable ‘yy’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2384:0: 2384 | subroutine abhgfnff_eg3_mul(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo) | Warning: ‘abhgfnff_eg3_mul’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:2645:0: 2645 | subroutine abhgfnff_eg3_add(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo) | Warning: ‘abhgfnff_eg3_add’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3180:0: 3180 | pure elemental function create_erfCN(k,r,r0) result(count) | Warning: ‘create_erfcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3203:0: 3203 | pure elemental function create_expCN(k,r,r0) result(count) | Warning: ‘create_expcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3211:0: 3211 | pure elemental function create_dexpCN(k,r,r0) result(count) | Warning: ‘create_dexpcn’ defined but not used [-Wunused-function] [414/522] true [415/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [416/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [417/522] true [418/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_calculator.f90.o -c ../src/gfnff/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/calculator.f90:222:36: 222 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:198:52: 198 | subroutine print_gfnff_results(iunit,res_gff,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:117:19: 117 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:120:19: 120 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:118:25: 118 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:78:63: 78 | subroutine singlepoint(self, env, mol, wfn, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:78:42: 78 | subroutine singlepoint(self, env, mol, wfn, printlevel, restart, & | 1 Warning: Unused dummy argument ‘wfn’ at (1) [-Wunused-dummy-argument] [419/522] true [420/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_set_module.f90.o -c ../src/set_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/set_module.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/set_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/set_module.f90:2314:19: 2314 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2312:18: 2312 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2313:19: 2313 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2315:19: 2315 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2295:24: 2295 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2295:28: 2295 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2295:32: 2295 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2230:18: 2230 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2233:19: 2233 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2206:19: 2206 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2204:18: 2204 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2205:19: 2205 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2207:19: 2207 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2148:18: 2148 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2116:62: 2116 | character(len=p_str_length),dimension(p_arg_length) :: argv | 1 Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2109:18: 2109 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2114:16: 2114 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2112:19: 2112 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2115:19: 2115 | integer :: narg | 1 Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2068:18: 2068 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2069:19: 2069 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2046:18: 2046 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2047:19: 2047 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2049:19: 2049 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2002:19: 2002 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2000:18: 2000 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2001:19: 2001 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2003:19: 2003 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2011:23: 2011 | logical,save :: set8 = .true. | 1 Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1976:18: 1976 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1979:19: 1979 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1940:18: 1940 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1941:19: 1941 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1943:19: 1943 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1911:18: 1911 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1912:19: 1912 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1914:19: 1914 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1917:23: 1917 | logical,save :: set3 = .true. | 1 Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1867:18: 1867 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1870:19: 1870 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1813:18: 1813 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1816:19: 1816 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1779:18: 1779 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1782:19: 1782 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1755:18: 1755 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1756:19: 1756 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1758:19: 1758 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1702:18: 1702 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1611:18: 1611 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1564:18: 1564 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1567:19: 1567 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1397:18: 1397 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1418:24: 1418 | logical,save :: set18 = .true. | 1 Warning: Unused variable ‘set18’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1349:18: 1349 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1352:19: 1352 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1304:19: 1304 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1302:18: 1302 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1233:19: 1233 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1231:18: 1231 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1090:19: 1090 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1088:18: 1088 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1089:19: 1089 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1067:18: 1067 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1047:18: 1047 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1029:18: 1029 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:717:19: 717 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:710:15: 710 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:712:16: 712 | integer :: ic | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/set_module.f90:713:16: 713 | integer :: ie | 1 Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/set_module.f90:706:38: 706 | character(len=:),allocatable :: key | 1 Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/set_module.f90:707:38: 707 | character(len=:),allocatable :: val | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/set_module.f90:674:19: 674 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:556:15: 556 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:446:15: 446 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:422:15: 422 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90: In function ‘__xtb_setmod_MOD_write_set_thermo’: ../src/set_module.f90:234: warning: ‘idum’ is used uninitialized in this function [-Wuninitialized] 234 | if (thermotemp(idum+1).ne.0.0_wp) idum = size(thermotemp,1) | [421/522] true [422/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_hamiltonian.f90.o -c ../src/xtb/hamiltonian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/hamiltonian.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/hamiltonian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/hamiltonian.f90:609:62: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:54: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:62: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:46: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:49: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:61: 613 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:35: 613 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:35: 617 | real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:27: 617 | real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6) | 1 Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:66: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:43: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:610:14: 610 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:610:17: 610 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:53: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:13: 615 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:60: 616 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:618:25: 618 | integer :: il, jl, itr | 1 Warning: Unused variable ‘itr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:14: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:16: 615 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:66: 616 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:38: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:41: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:35: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:44: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:619:33: 619 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN | 1 Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:18: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:29: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:20: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:47: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:50: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:50: 616 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:54: 616 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:32: 614 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:563:16: 563 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:563:21: 563 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:611:47: 611 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:57: 612 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:48: 613 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:18: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:21: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:37: 612 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:44: 612 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:25: 611 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:34: 611 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:43: 611 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:30: 612 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:57: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:53: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:48: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:15: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:22: 613 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:31: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:37: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:43: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:27: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:30: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:33: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:36: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:16: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:21: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:608:26: 608 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:609:24: 609 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:619:29: 619 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN | 1 Warning: Unused variable ‘zetaij’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:619:17: 619 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN | 1 Warning: Unused variable ‘zi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:619:21: 619 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly, dshpoly(3), dCN | 1 Warning: Unused variable ‘zj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:62: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:54: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:62: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:46: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:49: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:408:61: 408 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:408:35: 408 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:35: 412 | real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:27: 412 | real(wp) :: dumdum(3,10),dum(10),sdq(10,6,6),sdqg(3,19,6,6) | 1 Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:66: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:43: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:405:14: 405 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:405:17: 405 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:53: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:410:13: 410 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:60: 411 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:14: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:410:16: 410 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,ixyz | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:66: 411 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:38: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:41: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:35: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:44: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:18: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:29: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:20: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:47: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:50: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:50: 411 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:54: 411 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:409:32: 409 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:360:75: 360 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:360:80: 360 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:406:47: 406 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:407:57: 407 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:408:48: 408 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:18: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:21: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:407:37: 407 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:407:44: 407 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:406:25: 406 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:406:34: 406 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:406:43: 406 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:407:30: 407 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:57: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:53: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:48: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:15: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:408:22: 408 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:31: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:37: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:43: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:27: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:30: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:33: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:36: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:16: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:21: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:403:26: 403 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:404:24: 404 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:65: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:57: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:39: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:49: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:46: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:52: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:190:19: 190 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:14: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:17: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:20: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:69: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:43: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:189:27: 189 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:189:30: 189 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:191:13: 191 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:192:60: 192 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:14: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:191:16: 191 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:192:66: 192 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:191:65: 191 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jshmax’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:38: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:41: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:35: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:44: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:18: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:29: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:20: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:47: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:50: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:192:50: 192 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:192:54: 192 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:32: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:146:50: 146 | subroutine build_SDQH0(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:190:27: 190 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:18: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:21: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:34: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:30: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:25: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:197:22: 197 | real(wp) :: saw(10) | 1 Warning: Unused variable ‘saw’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:15: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:36: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:42: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:27: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:30: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:33: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:36: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:41: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:16: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:21: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:26: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:31: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:24: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90: In function ‘__xtb_xtb_hamiltonian_MOD_build_dsdqh0_noreset’: ../src/xtb/hamiltonian.f90:709: warning: ‘stmp’ may be used uninitialized in this function [-Wmaybe-uninitialized] 709 | g_xyz(ixyz) = g_xyz(ixyz)+stmp+dtmp+qtmp | [423/522] true [424/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_rdcoord2.f90.o -c ../src/rdcoord2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/rdcoord2.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/rdcoord2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rdcoord2.f90:286:20: 286 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/rdcoord2.f90:281:40: 281 | character(len=:),allocatable :: wfile | 1 Warning: Unused variable ‘wfile’ declared at (1) [-Wunused-variable] ../src/rdcoord2.f90:41:18: 41 | integer :: j,k,ich,cs,cf,ncheck | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [425/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_scf_module.f90.o -c ../src/scf_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/scf_module.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/scf_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scf_module.f90:60:36: 60 | integer, parameter :: metal(1:86) = [& | 1 Warning: Unused PRIVATE module variable ‘metal’ declared at (1) [-Wunused-value] ../src/scf_module.f90:180:37: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:200:29: 200 | character(len=128) :: atmp,ftmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:162:34: 162 | real(wp),allocatable :: aw(:,:) | 1 Warning: Unused variable ‘aw’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:163:36: 163 | real(wp),allocatable :: c6ab(:,:) | 1 Warning: Unused variable ‘c6ab’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:210:44: 210 | real(wp),allocatable :: fgba(:),dcm5(:,:) | 1 Warning: Unused variable ‘dcm5’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:183:48: 183 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘drfdxyz’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:183:37: 183 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:43: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:46: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:49: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:181:18: 181 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘efa’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:181:22: 181 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘efb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:178:48: 178 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1 Warning: Unused variable ‘efix’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:179:23: 179 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:182:48: 182 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:179:32: 179 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘eold’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:187:20: 187 | real(wp) :: esave,eel | 1 Warning: Unused variable ‘esave’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:201:16: 201 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:186:43: 186 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘exc’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:181:53: 181 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:210:34: 210 | real(wp),allocatable :: fgba(:),dcm5(:,:) | 1 Warning: Unused variable ‘fgba’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:200:34: 200 | character(len=128) :: atmp,ftmp | 1 Warning: Unused variable ‘ftmp’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:201:34: 201 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘fulldiag’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:185:23: 185 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:185:26: 185 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘gj’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:70:48: 70 | & egap, et, maxiter, prlevel, restart, grd, acc, energy, gradient, res) | 1 Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument] ../src/scf_module.f90:186:39: 186 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘gtmp’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:182:52: 182 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘h0s’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:183:19: 183 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘h0sr’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:31: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘hav’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:211:20: 211 | real(wp) :: hbpow | 1 Warning: Unused variable ‘hbpow’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:181:39: 181 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘hdii’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:181:44: 181 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘hdjj’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:178:43: 178 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1 Warning: Unused variable ‘hlgap’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:182:57: 182 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘hmat’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:197:19: 197 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:197:22: 197 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:196:33: 196 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:194:17: 194 | integer :: ich ! file handle | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:201:50: 201 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘iniqsh’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:48: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘jmpol’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:198:19: 198 | integer :: is,js,gav | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:196:27: 196 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:56: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘kdampxb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:188:39: 188 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘kexpe’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:195:26: 195 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:195:58: 195 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:196:41: 196 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:197:16: 197 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:195:45: 195 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:195:61: 195 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:195:64: 195 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:161:20: 161 | real(wp) :: molc6,molc8,molpol | 1 Warning: Unused variable ‘molc6’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:161:26: 161 | real(wp) :: molc6,molc8,molpol | 1 Warning: Unused variable ‘molc8’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:196:39: 196 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘ndimv’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:181:28: 181 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘nfoda’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:181:34: 181 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘nfodb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:197:25: 197 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:196:30: 196 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘np’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:195:17: 195 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘npr’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:58: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘r0i’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:62: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘r0j’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:179:42: 179 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:179:27: 179 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:182:62: 182 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:183:59: 183 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘rav’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:42: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘repab’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:27: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:164:34: 164 | real(wp),allocatable :: rvol(:) | 1 Warning: Unused variable ‘rvol’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:125:35: 125 | real(wp),allocatable :: S12(:,:) | 1 Warning: Unused variable ‘s12’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:17: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:180:20: 180 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:188:22: 188 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:188:25: 188 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘t7’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:183:63: 183 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘tab’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:183:55: 183 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘tex’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:61: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘vvxb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:186:17: 186 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:186:20: 186 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:185:17: 185 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:182:17: 182 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:182:20: 182 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:21: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘xa’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:24: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘xb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:137:36: 137 | real(wp),allocatable :: Xcao(:,:) | 1 Warning: Unused variable ‘xcao’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:185:20: 185 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘xj’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:179:19: 179 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:179:39: 179 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:27: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘ya’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:30: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘yb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:183:51: 183 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘yy’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:33: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘za’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:184:36: 184 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘zb’ declared at (1) [-Wunused-variable] ../src/scf_module.f90:874:0: 874 | pure elemental function early3d(i) result(bool) | Warning: ‘early3d’ defined but not used [-Wunused-function] [426/522] true [427/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_stm.f.o -c ../src/stm.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/stm.f: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/stm.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/stm.f:226:46: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/stm.f:226:38: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/stm.f:226:42: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable] ../src/stm.f:207:42: 207 | subroutine densints(n,nbf,xyz,intcut,point,pthr,P, | 1 Warning: Unused dummy argument ‘intcut’ at (1) [-Wunused-dummy-argument] ../src/stm.f:224:21: 224 | integer i,j,k,l,iprimcount,jprimcount,ppp | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/stm.f:225:45: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/stm.f:225:48: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/stm.f:225:40: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/stm.f:225:42: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/stm.f:225:51: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/stm.f:225:54: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/stm.f:227:26: 227 | real(wp) tt1,ttt,thr,cce,pthr2 | 1 Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] ../src/stm.f:25:36: 25 | subroutine stmpic(n,nmo,nbf,at,xyz,C,efermi,emo,basis) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/stm.f:40:61: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/stm.f:46:28: 46 | integer i,j,k,l,m,done,mprim,npp,ind1,ind2,np,m1,m2,m3 | 1 Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable] ../src/stm.f:40:26: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘rx’ declared at (1) [-Wunused-variable] ../src/stm.f:40:29: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘ry’ declared at (1) [-Wunused-variable] ../src/stm.f:40:32: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘rz’ declared at (1) [-Wunused-variable] ../src/stm.f:40:44: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/stm.f:40:47: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/stm.f:40:50: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/stm.f:40:53: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] [428/522] true [429/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [430/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_symparam.f90.o -c ../src/symparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/symparam.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/symparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [431/522] true [432/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o -c ../src/gfnff/gfnff_ini.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/gfnff_ini.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_ini.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_ini.f90:396:24: 396 | rabd(k, i) = param%rad(mol%at(i)) + param%rad(mol%at(k)) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_ini.f90:55:33: 55 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘aat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:29: 55 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘atb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:99:29: 99 | character(len=255) atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:25: 55 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘bat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:76:45: 76 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘cnij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:52:37: 52 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘current’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:65:39: 65 | real(wp) shift,dum,dum1,dum2,dum4,qafac,fqq,feta | 1 Warning: Unused variable ‘dum4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:76:40: 76 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:37: 55 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:17: 55 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:21: 55 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hbh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:76:19: 76 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘heavy’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:50:77: 50 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘jdum’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:50:69: 50 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘ka’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:52:25: 52 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:49:33: 49 | integer ati,atj,atk,i,j,k,l,lin,nn,ii,jj,kk,ll,m,rings,ia,ja,ij,ix,nnn,idum,ip,ji,no | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:52:22: 52 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘maxhb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:52:29: 52 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘n13’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:50:48: 50 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘nn1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:50:52: 50 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘nn2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:71:24: 71 | real(wp) fkl,qreps,fbsmall,bohr | 1 Warning: Unused variable ‘qreps’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:50:44: 50 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘ringtyp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:75:60: 75 | logical lring,picon,notpicon,bridge,sp3ij,ccij,success | 1 Warning: Unused variable ‘success’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:70:21: 70 | real(wp) xx(20) | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90: In function ‘__xtb_gfnff_ini_MOD_gfnff_ini’: ../src/gfnff/gfnff_ini.f90:540: warning: ‘ifrag’ may be used uninitialized in this function [-Wmaybe-uninitialized] 540 | dum2=topo%qfrag(ifrag) ! save | [433/522] true [434/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_hessian.F90.o -c ../src/hessian.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran ../src/hessian.F90:1148:28: 1148 | character(len=5) :: adum | 1 Warning: Unused variable ‘adum’ declared at (1) [-Wunused-variable] ../src/hessian.F90:71:43: 71 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1 Warning: Unused variable ‘dipole’ declared at (1) [-Wunused-variable] ../src/hessian.F90:69:46: 69 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/hessian.F90:69:42: 69 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘dumi’ declared at (1) [-Wunused-variable] ../src/hessian.F90:70:19: 70 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘dumj’ declared at (1) [-Wunused-variable] ../src/hessian.F90:96:17: 96 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/hessian.F90:25:28: 25 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘etot’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:94:16: 94 | logical :: ex,rd | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/hessian.F90:97:46: 97 | character(len=:),allocatable :: hname,fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/hessian.F90:70:59: 70 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/hessian.F90:70:54: 70 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘hof’ declared at (1) [-Wunused-variable] ../src/hessian.F90:95:17: 95 | integer :: ich ! file handle | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/hessian.F90:74:33: 74 | integer :: nread,kend,lowmode | 1 Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/hessian.F90:74:20: 74 | integer :: nread,kend,lowmode | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/hessian.F90:73:59: 73 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj | 1 Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/hessian.F90:69:21: 69 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/hessian.F90:73:62: 73 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj | 1 Warning: Unused variable ‘rj’ declared at (1) [-Wunused-variable] ../src/hessian.F90:71:19: 71 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1 Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:72:23: 72 | real(wp) :: trpol(3),sl(3,3) | 1 Warning: Unused variable ‘trpol’ declared at (1) [-Wunused-variable] ../src/hessian.F90:69:31: 69 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘zpve’ declared at (1) [-Wunused-variable] ../src/hessian.F90: In function ‘__xtb_hessian_MOD_distort’: ../src/hessian.F90:653: warning: ‘xyz2.offset’ is used uninitialized in this function [-Wuninitialized] 653 | xyz2 = mol%xyz | ../src/hessian.F90:653: warning: ‘xyz2.dim[0].lbound’ is used uninitialized in this function [-Wuninitialized] ../src/hessian.F90:653: warning: ‘xyz2.dim[0].ubound’ is used uninitialized in this function [-Wuninitialized] ../src/hessian.F90:653: warning: ‘xyz2.dim[1].lbound’ is used uninitialized in this function [-Wuninitialized] ../src/hessian.F90:653: warning: ‘xyz2.dim[1].ubound’ is used uninitialized in this function [-Wuninitialized] [435/522] true [436/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o -c ../src/gfnff/gfnff_setup.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/gfnff_setup.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_setup.f90: In function ‘__xtb_gfnff_setup_MOD_gfnff_input’: ../src/gfnff/gfnff_setup.f90:191: warning: ‘k’ may be used uninitialized in this function [-Wmaybe-uninitialized] 191 | topo%nb(1,i)=k | [437/522] true [438/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [439/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_timing.f90.o -c ../src/timing.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/timing.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/timing.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [440/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [441/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_thermo.f90.o -c ../src/thermo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/thermo.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/thermo.f90:247:72: 247 | subroutine oldthermo(a,b,c,avmom,linear,atom,sym,molmass,vibs,nvibs,escf, & | 1 Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument] ../src/thermo.f90:297:43: 297 | real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot | 1 Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:26: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/thermo.f90:80:36: 80 | & vibs,nvibs,escf,T,sthr_rcm,et,ht,g,ts,zp,pr) | 1 Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument] ../src/thermo.f90:116:43: 116 | real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot | 1 Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable] ../src/thermo.f90:120:24: 120 | real(wp) :: wofrot,RT | 1 Warning: Unused variable ‘rt’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:37: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘xmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:32: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:35:37: 35 | integer,allocatable :: ictdum(:,:) | 1 Warning: Unused variable ‘ictdum’ declared at (1) [-Wunused-variable] [442/522] true [443/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [444/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_peeq_module.f90.o -c ../src/peeq_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/peeq_module.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/peeq_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/peeq_module.f90:1602:40: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:32: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:62: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:24: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:21: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:27: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1606:61: 1606 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1606:35: 1606 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1605:16: 1605 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1610:28: 1610 | real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1610:24: 1610 | real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6) | 1 Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:44: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:18: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1603:14: 1603 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1603:17: 1603 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:53: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1608:13: 1608 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1609:60: 1609 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:14: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1608:16: 1608 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1609:66: 1609 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1608:72: 1608 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:16: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1608:28: 1608 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:38: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:41: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:35: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:44: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:18: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:57: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:29: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:20: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:47: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:50: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1609:50: 1609 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1609:54: 1609 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1607:32: 1607 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1561:21: 1561 | & thr, nao, nbf, at, xyz, trans, P, Pew, g, sigma, dHdcn, dHdq) | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:1604:47: 1604 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1605:57: 1605 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1606:48: 1606 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1605:21: 1605 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:18: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:21: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1605:37: 1605 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1605:44: 1605 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:37: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1604:25: 1604 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1604:34: 1604 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1604:43: 1604 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1605:30: 1605 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:57: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:53: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:48: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:15: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1606:22: 1606 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:31: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:37: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:43: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:27: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:30: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:33: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:36: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1602:16: 1602 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:16: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:21: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1600:26: 1600 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1601:24: 1601 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1621:17: 1621 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1621:20: 1621 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1621:23: 1621 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:40: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:32: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:62: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:24: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:21: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:27: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1372:61: 1372 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1372:35: 1372 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1371:16: 1371 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1376:28: 1376 | real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1376:24: 1376 | real(wp) :: dumdum(3),dum,sdq(6,6),sdqg(3,6,6) | 1 Warning: Unused variable ‘dumdum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:44: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:18: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1369:14: 1369 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1369:17: 1369 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:53: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1374:13: 1374 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1375:60: 1375 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:14: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1374:16: 1374 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1375:66: 1375 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1374:72: 1374 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:16: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:38: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:41: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:35: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:44: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:18: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:57: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:29: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:20: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:47: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:50: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1375:50: 1375 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1375:54: 1375 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1373:32: 1373 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1326:21: 1326 | & thr, nao, nbf, at, xyz, lattice, P, Pew, g, sigma, dHdcn, dHdq, wsc) | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:1370:47: 1370 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1371:57: 1371 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1372:48: 1372 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1371:21: 1371 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:18: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:21: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1371:37: 1371 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1371:44: 1371 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:37: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1370:25: 1370 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1370:34: 1370 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1370:43: 1370 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1371:30: 1371 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:57: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:53: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:48: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:15: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1372:22: 1372 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:31: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:37: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:43: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:27: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:30: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:33: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:36: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1368:16: 1368 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:16: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:21: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1366:26: 1366 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1367:24: 1367 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1280:17: 1280 | real(wp) :: ab,est,saw,sawg(3) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1279:42: 1279 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1256:76: 1256 | pure subroutine get_grad_overlap(icao,jcao,naoi,naoj,iptyp,jptyp,ri,rj,point,intcut, & | 1 Warning: Unused dummy argument ‘point’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:1214:42: 1214 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:60: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:52: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1034:39: 1034 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:44: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:41: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:47: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1045:45: 1045 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1045:19: 1045 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1034:14: 1034 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1034:17: 1034 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1034:20: 1034 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:64: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:38: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1043:27: 1043 | real(wp) ri(3),rj(3),f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1043:30: 1043 | real(wp) ri(3),rj(3),f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1047:13: 1047 | integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1048:60: 1048 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:14: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1047:16: 1047 | integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1048:66: 1048 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:16: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1051:14: 1051 | integer kat | 1 Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:38: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:41: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:35: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:44: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:18: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:29: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:20: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:47: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:50: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1048:50: 1048 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1048:54: 1048 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1032:32: 1032 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1002:71: 1002 | subroutine pbc_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:1045:55: 1045 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1045:27: 1045 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:18: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:21: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:57: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1034:34: 1034 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1034:30: 1034 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1034:25: 1034 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1054:22: 1054 | real(wp) :: saw(10) | 1 Warning: Unused variable ‘saw’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:15: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1046:22: 1046 | real(wp) sstmp(6,6) !TESTST | 1 Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1033:36: 1033 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1033:42: 1033 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:27: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:30: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:33: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:36: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1045:64: 1045 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1033:16: 1033 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1033:21: 1033 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1033:26: 1033 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1033:31: 1033 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1035:24: 1035 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:60: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:52: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:845:39: 845 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘alpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:44: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:41: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘ci’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:47: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:856:45: 856 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:856:19: 856 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:845:14: 845 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:845:17: 845 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:845:20: 845 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:64: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:38: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:854:32: 854 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:854:35: 854 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:858:13: 858 | integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl | 1 Warning: Unused variable ‘ip’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:859:60: 859 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘iprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:14: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:858:16: 858 | integer ip,jp,iat,jat,ati,atj,ish,jsh,icao,jcao,iao,jao,jshmax,il,jl | 1 Warning: Unused variable ‘jp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:859:66: 859 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘jprim’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:16: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:38: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:41: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:35: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:44: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:18: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:29: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:20: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:47: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:50: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:859:50: 859 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mli’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:859:54: 859 | integer ishtyp,jshtyp,iptyp,jptyp,naoi,naoj,mli,mlj,iprim,jprim | 1 Warning: Unused variable ‘mlj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:843:32: 843 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:811:71: 811 | subroutine ccm_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:856:55: 856 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:856:27: 856 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:18: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:21: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:57: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:845:34: 845 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:845:30: 845 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:845:25: 845 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:865:22: 865 | real(wp) :: saw(10) | 1 Warning: Unused variable ‘saw’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:15: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:857:22: 857 | real(wp) sstmp(6,6) !TESTST | 1 Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:844:36: 844 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:844:42: 844 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:27: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:30: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:33: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:36: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:856:64: 856 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:844:16: 844 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:844:21: 844 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:844:26: 844 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:844:31: 844 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:846:24: 846 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:695:17: 695 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:695:19: 695 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:702:19: 702 | real(wp) :: r2,r,dr,rab | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:702:17: 702 | real(wp) :: r2,r,dr,rab | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:695:24: 695 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘wsat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:626:26: 626 | real(wp) :: ri(3),dr(3) | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:625:17: 625 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:625:21: 625 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:624:19: 624 | integer :: i,j,k,lin | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:624:23: 624 | integer :: i,j,k,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:626:20: 626 | real(wp) :: ri(3),dr(3) | 1 Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:636:27: 636 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:636:30: 636 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:636:33: 636 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:126:43: 126 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:194:51: 194 | real(wp),allocatable,dimension(:) :: aux | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:161:19: 161 | real(wp) :: den2 | 1 Warning: Unused variable ‘den2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:162:19: 162 | real(wp) :: den4 | 1 Warning: Unused variable ‘den4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:156:51: 156 | real(wp) , allocatable, dimension(:,:,:) :: dlcn | 1 Warning: Unused variable ‘dlcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:134:18: 134 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:191:52: 191 | real(wp),allocatable,dimension(:) :: ev_s | 1 Warning: Unused variable ‘ev_s’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:136:16: 136 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:154:52: 154 | real(wp) , allocatable, dimension(:,:,:) :: grab0 | 1 Warning: Unused variable ‘grab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:46:57: 46 | (env,mol,wfn,basis,xtbData,gbsa,egap,et,prlevel,grd,ccm,acc,etot,gradient,sigma,res) | 1 Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:157:51: 157 | real(wp), dimension(2) :: hbpi | 1 Warning: Unused variable ‘hbpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:158:51: 158 | real(wp), dimension(2) :: hbpj | 1 Warning: Unused variable ‘hbpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:167:18: 167 | integer :: ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:127:16: 127 | integer :: il,jl | 1 Warning: Unused variable ‘il’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:192:52: 192 | integer :: info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:126:19: 126 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:127:19: 127 | integer :: il,jl | 1 Warning: Unused variable ‘jl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:163:19: 163 | real(wp) :: ken2 | 1 Warning: Unused variable ‘ken2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:164:19: 164 | real(wp) :: ken4 | 1 Warning: Unused variable ‘ken4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:126:46: 126 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:155:50: 155 | real(wp) , allocatable, dimension(:) :: lcn | 1 Warning: Unused variable ‘lcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:193:53: 193 | integer :: lwork | 1 Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:126:27: 126 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:166:17: 166 | integer :: nh | 1 Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:165:18: 165 | integer :: nhb | 1 Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:153:51: 153 | real(wp) , allocatable, dimension(:) :: rab0 | 1 Warning: Unused variable ‘rab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:117:23: 117 | integer :: rep_cn(3) | 1 Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:190:52: 190 | real(wp),allocatable,dimension(:,:) :: Stmp | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:195:22: 195 | real(wp) :: test(1) | 1 Warning: Unused variable ‘test’ declared at (1) [-Wunused-variable] [445/522] true [446/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_topology.f90.o -c ../src/topology.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/topology.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/topology.f90:136:17: 136 | integer :: iat, neigh | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] [447/522] true [448/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_wrgbw.f90.o -c ../src/wrgbw.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/wrgbw.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/wrgbw.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrgbw.f90:19:21: 19 | use, intrinsic :: iso_fortran_env | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 ../src/wrgbw.f90:82:55: 82 | integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] [449/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [450/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_wrmo.f90.o -c ../src/wrmo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/wrmo.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/wrmo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrmo.f90:18:34: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/wrmo.f90:18:40: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1 Warning: Unused dummy argument ‘basis’ at (1) [-Wunused-dummy-argument] [451/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [452/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_optimizer.f90.o -c ../src/optimizer.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/optimizer.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/optimizer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/optimizer.f90:482:20: 482 | parameter (r4dum=1.e-8) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘REAL(4)’ at (1) [-Wconversion] ../src/optimizer.f90:626:28: 626 | Aaug(1:npvar) = anc%hess | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:627:28: 627 | Aaug(npvar+1:npvar1-1) = gint | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:637:17: 637 | Uaug = Uaug/dsnrm | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:974:16: 974 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:742:19: 742 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:714:19: 714 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:474:33: 474 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘dnorm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:475:33: 475 | real(wp) :: depred,echng,dummy,maxd,alp,gchng,smallreal,gnold | 1 Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:472:16: 472 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:472:52: 472 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:472:43: 472 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:472:27: 472 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:472:30: 472 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:474:21: 474 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:472:37: 472 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:472:46: 472 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:473:49: 473 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:473:55: 473 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:473:52: 473 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:473:58: 473 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:474:48: 474 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘xdum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:144:26: 144 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘amu2au’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:144:32: 144 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘au2cm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:155:33: 155 | real(wp),allocatable :: aux(:) | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:152:34: 152 | real(wp),allocatable :: b (:,:) | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:144:47: 144 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:144:57: 144 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:131:18: 131 | real(wp) :: eel | 1 Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:145:45: 145 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:156:34: 156 | real(wp),allocatable :: hess(:) | 1 Warning: Unused variable ‘hess’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:38: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:32: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:44: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:52: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:147:53: 147 | integer :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii | 1 Warning: Unused variable ‘itry’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:157:35: 157 | integer, allocatable :: iwork(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:41: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:35: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:47: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:29: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jjj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:25: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:146:17: 146 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:147:30: 147 | integer :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:141:27: 141 | type(scc_results) :: res | 1 Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:145:56: 145 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:144:19: 144 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:145:62: 145 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:145:59: 145 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:158:36: 158 | integer, allocatable :: totsym(:) | 1 Warning: Unused variable ‘totsym’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:145:68: 145 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:145:65: 145 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] [453/522] true [454/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_xtb_calculator.f90.o -c ../src/xtb/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/xtb/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/calculator.f90:271:47: 271 | subroutine print_gfn2_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:252:47: 252 | subroutine print_gfn1_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:235:53: 235 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:235:47: 235 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:133:19: 133 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/xtb/calculator.f90:131:25: 131 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] [455/522] true [456/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/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 [457/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_zmatpr.f90.o -c ../src/zmatpr.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/zmatpr.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/zmatpr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/zmatpr.f90:29:17: 29 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] [458/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_environment.f90.o -c ../src/api/environment.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/api/environment.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/environment.f90:185:43: 185 | subroutine setVerbosity_api(venv, verbosity) & | 1 Warning: Variable ‘verbosity’ at (1) is a dummy argument of the BIND(C) procedure ‘setverbosity_api’ but may not be C interoperable [-Wc-binding-type] ../src/api/environment.f90: In function ‘xtb_checkEnvironment’: ../src/api/environment.f90:99: warning: ‘status’ may be used uninitialized in this function [-Wmaybe-uninitialized] 99 | end function checkEnvironment_api | ../src/api/environment.f90:80:50: note: ‘status’ was declared here 80 | function checkEnvironment_api(venv) result(status) & | ^ [459/522] true [460/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [461/522] true [462/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_property.f90.o -c ../src/main/property.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/main/property.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/main/property.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/main/property.f90:1156:27: 1156 | real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/main/property.f90:1156:25: 1156 | real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom | 1 Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/main/property.f90:964:25: 964 | logical linear,atom,da | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/main/property.f90:950:36: 950 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘fswitch’ declared at (1) [-Wunused-variable] ../src/main/property.f90:950:42: 950 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘lnq_r’ declared at (1) [-Wunused-variable] ../src/main/property.f90:950:48: 950 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘lnq_v’ declared at (1) [-Wunused-variable] ../src/main/property.f90:950:28: 950 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘maxfreq’ declared at (1) [-Wunused-variable] ../src/main/property.f90:952:26: 952 | integer nn,nvib,i,j,k,n,nvib_theo,isthr | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/main/property.f90:952:13: 952 | integer nn,nvib,i,j,k,n,nvib_theo,isthr | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/main/property.f90:950:20: 950 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/main/property.f90:947:18: 947 | real(wp) xx(10),sthr,temp,scale_factor | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/main/property.f90:792:34: 792 | subroutine print_dipole(iunit,n,at,xyz,z,nao,P,dpint) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/property.f90:650:18: 650 | integer :: i,j,k,nfrag | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.f90:650:20: 650 | integer :: i,j,k,nfrag | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.f90:651:19: 651 | real(wp) :: xsum | 1 Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/main/property.f90:411:28: 411 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/main/property.f90:411:19: 411 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] ../src/main/property.f90:411:24: 411 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/main/property.f90:405:41: 405 | character(len=:),allocatable :: hname | 1 Warning: Unused variable ‘hname’ declared at (1) [-Wunused-variable] ../src/main/property.f90:404:19: 404 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/main/property.f90:404:21: 404 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.f90:404:24: 404 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/main/property.f90:404:26: 404 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.f90:404:28: 404 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/main/property.f90:412:22: 412 | integer :: lowmode | 1 Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/main/property.f90:278:18: 278 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/main/property.f90:277:18: 277 | real(wp) :: dip,dipol(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/main/property.f90:277:27: 277 | real(wp) :: dip,dipol(3) | 1 Warning: Unused variable ‘dipol’ declared at (1) [-Wunused-variable] ../src/main/property.f90:278:25: 278 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘intcut’ declared at (1) [-Wunused-variable] ../src/main/property.f90:276:19: 276 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable] ../src/main/property.f90:276:23: 276 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.f90:278:33: 278 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘neglect’ declared at (1) [-Wunused-variable] ../src/main/property.f90:276:27: 276 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.f90:238:33: 238 | (lverbose,mol,wfx,basis,res) | 1 Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] ../src/main/property.f90:121:25: 121 | type(TSolvent) :: gbsa | 1 Warning: Unused variable ‘gbsa’ declared at (1) [-Wunused-variable] ../src/main/property.f90:117:23: 117 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.f90:117:27: 117 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.f90:73:38: 73 | (iunit,mol,wfx,basis,xtbData,res,solv,acc) | 1 Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] [463/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_main_setup.f90.o -c ../src/main/setup.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/main/setup.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/main/setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/main/setup.f90:226:33: 226 | type(TxTBParameter) :: globpar | 1 Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable] ../src/main/setup.f90:228:26: 228 | logical :: exist, okbas | 1 Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] [464/522] true [465/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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 [466/522] true [467/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/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 [468/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_calculator.f90.o -c ../src/api/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/api/calculator.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [469/522] true [470/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_api_interface.f90.o -c ../src/api/interface.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/api/interface.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/interface.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [471/522] gcc -Ilib_xtb.a.p -I. -I.. -I../include -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -std=c11 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -MD -MQ lib_xtb.a.p/symmetry_symmetry_i.c.o -MF lib_xtb.a.p/symmetry_symmetry_i.c.o.d -o lib_xtb.a.p/symmetry_symmetry_i.c.o -c ../symmetry/symmetry_i.c ../symmetry/symmetry_i.c: In function ‘optimize_transformation_params’: ../symmetry/symmetry_i.c:554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 554 | if( cycle >= MaxOptCycles ) | ^~ ../symmetry/symmetry_i.c:556:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 556 | printf( " optimization completed after %d cycles with f = %g\n", cycle, f ) ; | ^~~~~~ ../symmetry/symmetry_i.c: In function ‘init_axis_parameters’: ../symmetry/symmetry_i.c:1055:12: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else] 1055 | else if( axis->direction[1] <= 0 ) | ^ ../symmetry/symmetry_i.c:1052:3: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else] 1052 | if( axis->direction[0] <= 0 ) | ^ ../symmetry/symmetry_i.c: In function ‘find_improper_axes’: ../symmetry/symmetry_i.c:1409:1: warning: multi-line comment [-Wcomment] 1409 | //#pragma omp parallel for private(i,j,k, axis) \ | ^ ../symmetry/symmetry_i.c: In function ‘identify_point_group’: ../symmetry/symmetry_i.c:1691:14: warning: unused variable ‘j’ [-Wunused-variable] 1691 | int j ; | ^ [472/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_relaxation_engine.f90.o -c ../src/relaxation_engine.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/relaxation_engine.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/relaxation_engine.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/relaxation_engine.f90:958:24: 958 | Aaug(i*(1+i)/2) = 1.0_wp / hdiag(i) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:960:28: 960 | Aaug(npvar+1:npvar1-1) = g_anc | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:590:21: 590 | hess(i,j) = hessp(ij) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:591:21: 591 | hess(j,i) = hessp(ij) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:631:35: 631 | where(abs(eig).gt.thr) eig = eig+damp | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:895:21: 895 | real(wp) :: depred | 1 Warning: Unused variable ‘depred’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:889:20: 889 | integer :: i,j,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:889:17: 889 | integer :: i,j,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:896:31: 896 | real(wp) :: max_displacement | 1 Warning: Unused variable ‘max_displacement’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:782:22: 782 | integer :: lastiter | 1 Warning: Unused variable ‘lastiter’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:191:19: 191 | real(wp) :: time | 1 Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_inertial_relax’: ../src/relaxation_engine.f90:1267: warning: ‘lat_gnorm’ may be used uninitialized in this function [-Wmaybe-uninitialized] 1267 | & - lat_apar * lat_gradient/lat_gnorm * lat_speed | ../src/relaxation_engine.f90:1269: warning: ‘lat_time_step’ may be used uninitialized in this function [-Wmaybe-uninitialized] 1269 | lat_time_step = min(lat_time_step * opt%finc, max_tstep) | ../src/relaxation_engine.f90:1267: warning: ‘lat_apar’ may be used uninitialized in this function [-Wmaybe-uninitialized] 1267 | & - lat_apar * lat_gradient/lat_gnorm * lat_speed | ../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_l_ancopt’: ../src/relaxation_engine.f90:663: warning: ‘thr’ may be used uninitialized in this function [-Wmaybe-uninitialized] 663 | if (k.ne.nvar) thr=thr*0.1_wp | [473/522] true [474/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_geoopt_driver.f90.o -c ../src/geoopt_driver.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/geoopt_driver.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/geoopt_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [475/522] true [476/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_mdoptim.f90.o -c ../src/mdoptim.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/mdoptim.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mdoptim.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mdoptim.f90:55:16: 55 | real(wp) :: e,angtoau | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:40:46: 40 | subroutine mdopt(env, mol, wfx, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/mdoptim.f90:59:13: 59 | logical ex, fail | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:48:20: 48 | integer :: icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:40:55: 40 | subroutine mdopt(env, mol, wfx, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/mdoptim.f90:57:30: 57 | integer i,j,iz1,iz2,nall,ol | 1 Warning: Unused variable ‘ol’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:52:27: 52 | type(scc_results) :: res | 1 Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] [477/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_scan_driver.f90.o -c ../src/scan_driver.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/scan_driver.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/scan_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scan_driver.f90:55:20: 55 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [478/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_gfnff_struc_converter.f90.o -c ../src/gfnff/struc_converter.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/gfnff/struc_converter.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/struc_converter.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/struc_converter.f90:127:13: 127 | md_hmass = hmass_in | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/struc_converter.f90:26:38: 26 | & env,restart,mol,wfn,egap,et,maxiter,maxcycle,& | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/gfnff/struc_converter.f90:68:54: 68 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/gfnff/struc_converter.f90:60:52: 60 | integer :: ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [479/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_bias_path.f90.o -c ../src/bias_path.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/bias_path.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/bias_path.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bias_path.f90:24:65: 24 | subroutine bias_path(env, mol, wfx, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘epot’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:75:18: 75 | logical fail,ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:71:54: 71 | real(wp) xx(10),dum,factor,mem(5,100),distort,gnorm,dum1,ang | 1 Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:72:24: 72 | real(wp) ma,mfac,gthr,fnat | 1 Warning: Unused variable ‘gthr’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:72:14: 72 | real(wp) ma,mfac,gthr,fnat | 1 Warning: Unused variable ‘ma’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:72:19: 72 | real(wp) ma,mfac,gthr,fnat | 1 Warning: Unused variable ‘mfac’ declared at (1) [-Wunused-variable] ../src/bias_path.f90: In function ‘__xtb_biaspath_MOD_bias_path’: ../src/bias_path.f90:299: warning: ‘idat’ may be used uninitialized in this function [-Wmaybe-uninitialized] 299 | open(unit=idat,file='xtbpath.dat') ! for comparison all pot curves | [480/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_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] [481/522] gfortran -Ilib_xtb.a.p -I. -I.. -I../include -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Jlib_xtb.a.p -o lib_xtb.a.p/src_screening.f90.o -c ../src/screening.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/screening.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/screening.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/screening.f90:222:2: 222 | 99 write(*,*) | 1 Warning: Label 99 at (1) defined but not used [-Wunused-label] ../src/screening.f90:83:11: 83 | nall=ntemp_siman*time_md*1000/50 ! number of qmdff write outs | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/screening.f90:279:22: 279 | integer :: i,j,k,l,m,ndum,nstep,dumpstep | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/screening.f90:279:35: 279 | integer :: i,j,k,l,m,ndum,nstep,dumpstep | 1 Warning: Unused variable ‘nstep’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:32: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/screening.f90:71:23: 71 | logical :: checkrmsd | 1 Warning: Unused variable ‘checkrmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:27: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1 Warning: Unused variable ‘dens’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:55: 70 | logical :: fail,equalrot2,ohbonded,include_enan,enan,ex | 1 Warning: Unused variable ‘enan’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:22: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1 Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:24: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:27: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/screening.f90:49:16: 49 | integer icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:19: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:39: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:53: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:43: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘nst’ declared at (1) [-Wunused-variable] ../src/screening.f90:68:24: 68 | integer :: nall,ntemp,ncnf1,icyc,maxoptiter | 1 Warning: Unused variable ‘ntemp’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:37: 70 | logical :: fail,equalrot2,ohbonded,include_enan,enan,ex | 1 Warning: Unused variable ‘ohbonded’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:23: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/screening.f90:59:34: 59 | real(wp),allocatable :: rmat(:),eread(:) | 1 Warning: Unused variable ‘rmat’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:28: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:21: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] [482/522] rm -f libxtb.a && gcc-ar csrD libxtb.a lib_xtb.a.p/src_api_calculator.f90.o lib_xtb.a.p/src_api_environment.f90.o lib_xtb.a.p/src_api_molecule.f90.o lib_xtb.a.p/src_api_interface.f90.o lib_xtb.a.p/src_api_results.f90.o lib_xtb.a.p/src_api_utils.f90.o lib_xtb.a.p/src_api_version.f90.o lib_xtb.a.p/src_coulomb_ewald.f90.o lib_xtb.a.p/src_coulomb_gaussian.f90.o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o lib_xtb.a.p/src_disp_coordinationnumber.f90.o lib_xtb.a.p/src_disp_dftd3.f.o lib_xtb.a.p/src_disp_dftd3.f90.o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o lib_xtb.a.p/src_disp_dftd4.f90.o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o lib_xtb.a.p/src_disp_encharges.f90.o lib_xtb.a.p/src_disp_ncoord.f90.o lib_xtb.a.p/src_extern_mopac.f90.o lib_xtb.a.p/src_extern_orca.f90.o lib_xtb.a.p/src_extern_turbomole.f90.o lib_xtb.a.p/src_freq_project.f90.o lib_xtb.a.p/src_freq_utils.f90.o lib_xtb.a.p/src_gfnff_calculator.f90.o lib_xtb.a.p/src_gfnff_data.f90.o lib_xtb.a.p/src_gfnff_frag_hess.f90.o lib_xtb.a.p/src_gfnff_gdisp0.f90.o lib_xtb.a.p/src_gfnff_generator.f90.o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini2.f90.o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o lib_xtb.a.p/src_gfnff_math.f.o lib_xtb.a.p/src_gfnff_mrec.f90.o lib_xtb.a.p/src_gfnff_shake_module.f90.o lib_xtb.a.p/src_gfnff_struc_converter.f90.o lib_xtb.a.p/src_gfnff_topology.f90.o lib_xtb.a.p/src_io_reader_ctfile.f90.o lib_xtb.a.p/src_io_reader_gaussian.f90.o lib_xtb.a.p/src_io_reader_genformat.f90.o lib_xtb.a.p/src_io_reader_pdb.f90.o lib_xtb.a.p/src_io_reader_turbomole.f90.o lib_xtb.a.p/src_io_reader_vasp.f90.o lib_xtb.a.p/src_io_reader_xyz.f90.o lib_xtb.a.p/src_io_writer_ctfile.f90.o lib_xtb.a.p/src_io_writer_gaussian.f90.o lib_xtb.a.p/src_io_writer_genformat.f90.o lib_xtb.a.p/src_io_writer_orca.f90.o lib_xtb.a.p/src_io_writer_pdb.f90.o lib_xtb.a.p/src_io_writer_turbomole.f90.o lib_xtb.a.p/src_io_writer_vasp.f90.o lib_xtb.a.p/src_io_writer_xyz.f90.o lib_xtb.a.p/src_io_reader.f90.o lib_xtb.a.p/src_io_writer.f90.o lib_xtb.a.p/src_main_defaults.f90.o lib_xtb.a.p/src_main_geometry.f90.o lib_xtb.a.p/src_main_json.f90.o lib_xtb.a.p/src_main_property.f90.o lib_xtb.a.p/src_main_setup.f90.o lib_xtb.a.p/src_mctc_blas_level1.f90.o lib_xtb.a.p/src_mctc_blas_level2.f90.o lib_xtb.a.p/src_mctc_blas_level3.f90.o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o lib_xtb.a.p/src_mctc_lapack_eigensolve.f90.o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o lib_xtb.a.p/src_mctc_lapack_gst.f90.o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o lib_xtb.a.p/src_mctc_lapack_trf.f90.o lib_xtb.a.p/src_mctc_lapack_tri.f90.o lib_xtb.a.p/src_mctc_lapack_trs.f90.o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o lib_xtb.a.p/src_mctc_accuracy.f90.o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o lib_xtb.a.p/src_mctc_chartools.f90.o lib_xtb.a.p/src_mctc_convert.f90.o lib_xtb.a.p/src_mctc_filetypes.f90.o lib_xtb.a.p/src_mctc_io.f90.o lib_xtb.a.p/src_mctc_math.f90.o lib_xtb.a.p/src_mctc_namegen.f90.o lib_xtb.a.p/src_mctc_resize.f90.o lib_xtb.a.p/src_mctc_runtypes.f90.o lib_xtb.a.p/src_mctc_search.f90.o lib_xtb.a.p/src_mctc_sort.f90.o lib_xtb.a.p/src_mctc_symbols.f90.o lib_xtb.a.p/src_mctc_thresholds.f90.o lib_xtb.a.p/src_mctc_version.f90.o lib_xtb.a.p/src_mctc_mctc_global.f90.o lib_xtb.a.p/src_mctc_mctc_systools.f90.o lib_xtb.a.p/src_mctc_mctc_strings.f90.o lib_xtb.a.p/src_mctc_mctc_constants.f90.o lib_xtb.a.p/src_mctc_mctc_param.f90.o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o lib_xtb.a.p/src_mctc_param_chemical_hardnesses.f90.o lib_xtb.a.p/src_mctc_param_covalent_radii.f90.o lib_xtb.a.p/src_mctc_param_electronegativities.f90.o lib_xtb.a.p/src_mctc_param_pse.f90.o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o lib_xtb.a.p/src_mctc_mctc_timings.f90.o lib_xtb.a.p/src_mctc_mctc_filetools.f90.o lib_xtb.a.p/src_mctc_linalg.f90.o lib_xtb.a.p/src_mctc_lapack.f90.o lib_xtb.a.p/src_mctc_blas.f90.o lib_xtb.a.p/src_mctc_mctc_init.f90.o lib_xtb.a.p/src_mctc_error.f90.o lib_xtb.a.p/src_mctc_signal.c.o lib_xtb.a.p/src_param_atomicmass.f90.o lib_xtb.a.p/src_param_atomicrad.f90.o lib_xtb.a.p/src_param_covalentradd3.f90.o lib_xtb.a.p/src_param_paulingen.f90.o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o lib_xtb.a.p/src_param_vdwradd3.f90.o lib_xtb.a.p/src_type_anc.f90.o lib_xtb.a.p/src_type_atomlist.f90.o lib_xtb.a.p/src_type_basisset.f90.o lib_xtb.a.p/src_type_buffer.f90.o lib_xtb.a.p/src_type_calculator.f90.o lib_xtb.a.p/src_type_coulomb.f90.o lib_xtb.a.p/src_type_data.f90.o lib_xtb.a.p/src_type_dispersion_model.f90.o 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lib_xtb.a.p/src_xtb_dispersion.f90.o lib_xtb.a.p/src_xtb_eeq.f90.o lib_xtb.a.p/src_xtb_gfn0.f90.o lib_xtb.a.p/src_xtb_gfn1.f90.o lib_xtb.a.p/src_xtb_gfn2.f90.o lib_xtb.a.p/src_xtb_halogen.f90.o lib_xtb.a.p/src_xtb_hamiltonian.f90.o lib_xtb.a.p/src_xtb_multipole.f90.o lib_xtb.a.p/src_xtb_repulsion.f90.o lib_xtb.a.p/src_xtb_thirdorder.f90.o lib_xtb.a.p/src_aespot.f90.o lib_xtb.a.p/src_anharmlib.f90.o lib_xtb.a.p/src_aoparam.f90.o lib_xtb.a.p/src_approxrab.f90.o lib_xtb.a.p/src_axis_trafo.f90.o lib_xtb.a.p/src_basic_geo.f90.o lib_xtb.a.p/src_bfgs.f90.o lib_xtb.a.p/src_bias_path.f90.o lib_xtb.a.p/src_blowsy.f90.o lib_xtb.a.p/src_broyden.f90.o lib_xtb.a.p/src_charge_model.f90.o lib_xtb.a.p/src_coffee.f90.o lib_xtb.a.p/src_constrain_param.f90.o lib_xtb.a.p/src_constrain_pot.f90.o lib_xtb.a.p/src_constr.f90.o lib_xtb.a.p/src_cqpath.f90.o lib_xtb.a.p/src_cube.f90.o lib_xtb.a.p/src_david2.f90.o lib_xtb.a.p/src_david.f.o lib_xtb.a.p/src_define.f90.o lib_xtb.a.p/src_detrotra.f90.o lib_xtb.a.p/src_dipole.f90.o lib_xtb.a.p/src_drsp.f.o lib_xtb.a.p/src_dtrafo.f90.o lib_xtb.a.p/src_dynamic.f90.o lib_xtb.a.p/src_eeq_model.f90.o lib_xtb.a.p/src_elem.f90.o lib_xtb.a.p/src_embedding.f90.o lib_xtb.a.p/src_enso_printout.f90.o lib_xtb.a.p/src_eqrot.f90.o lib_xtb.a.p/src_esp.f.o lib_xtb.a.p/src_expire.f90.o lib_xtb.a.p/src_filetools.F90.o lib_xtb.a.p/src_fixparam.f90.o lib_xtb.a.p/src_foden.f90.o lib_xtb.a.p/src_fragment.f90.o lib_xtb.a.p/src_generate_wsc.f90.o lib_xtb.a.p/src_geoopt_driver.f90.o lib_xtb.a.p/src_geosum.f90.o lib_xtb.a.p/src_getname.f90.o lib_xtb.a.p/src_getsymnum.f90.o lib_xtb.a.p/src_gfn0param.f90.o lib_xtb.a.p/src_gfn_paramset.f90.o lib_xtb.a.p/src_gfn_prparam.f90.o lib_xtb.a.p/src_grad_core.f90.o lib_xtb.a.p/src_header.f90.o lib_xtb.a.p/src_hessian.F90.o lib_xtb.a.p/src_hlex.f90.o lib_xtb.a.p/src_ifind.f90.o lib_xtb.a.p/src_iniq.f90.o lib_xtb.a.p/src_intgrad.f90.o lib_xtb.a.p/src_intmodes.f90.o lib_xtb.a.p/src_intpack.f90.o lib_xtb.a.p/src_lidep.f90.o lib_xtb.a.p/src_lindh.f90.o lib_xtb.a.p/src_lin.f90.o lib_xtb.a.p/src_lin_mod.f90.o lib_xtb.a.p/src_local.f90.o lib_xtb.a.p/src_locmode.f90.o lib_xtb.a.p/src_lopt.f90.o lib_xtb.a.p/src_ls_rmsd.f90.o lib_xtb.a.p/src_makel.f90.o lib_xtb.a.p/src_matinv.f90.o lib_xtb.a.p/src_mdoptim.f90.o lib_xtb.a.p/src_metadynamic.f90.o lib_xtb.a.p/src_modef.f90.o lib_xtb.a.p/src_model_hessian.f90.o lib_xtb.a.p/src_neighbor.f90.o lib_xtb.a.p/src_onetri.f90.o lib_xtb.a.p/src_optimizer.f90.o lib_xtb.a.p/src_pbc.f90.o lib_xtb.a.p/src_pbc_tools.f90.o lib_xtb.a.p/src_peeq_module.f90.o lib_xtb.a.p/src_pocketscan.f90.o lib_xtb.a.p/src_pqn.f90.o lib_xtb.a.p/src_printmold.f90.o lib_xtb.a.p/src_printout.f90.o lib_xtb.a.p/src_prmat.f90.o lib_xtb.a.p/src_pseudodiag.f90.o lib_xtb.a.p/src_qmdff.f90.o lib_xtb.a.p/src_qpot.f90.o lib_xtb.a.p/src_qsort.f90.o lib_xtb.a.p/src_rdcoord2.f90.o lib_xtb.a.p/src_read_gfn_param.f90.o lib_xtb.a.p/src_readin.f90.o lib_xtb.a.p/src_readl2.f90.o lib_xtb.a.p/src_readl.f90.o lib_xtb.a.p/src_relaxation_engine.f90.o lib_xtb.a.p/src_restart.f90.o lib_xtb.a.p/src_rmrottr.f90.o lib_xtb.a.p/src_rmsd.f90.o lib_xtb.a.p/src_scan_driver.f90.o lib_xtb.a.p/src_scanparam.f90.o lib_xtb.a.p/src_scc_core.f90.o lib_xtb.a.p/src_scf_module.f90.o lib_xtb.a.p/src_screening.f90.o lib_xtb.a.p/src_set_module.f90.o lib_xtb.a.p/src_setparam.f90.o lib_xtb.a.p/src_shake_module.f90.o lib_xtb.a.p/src_shiftlp.f90.o lib_xtb.a.p/src_single.f90.o lib_xtb.a.p/src_slater.f90.o lib_xtb.a.p/src_sphereparam.f90.o lib_xtb.a.p/src_spline2.f90.o lib_xtb.a.p/src_spline3.f90.o lib_xtb.a.p/src_splitparam.f90.o lib_xtb.a.p/src_stm.f.o lib_xtb.a.p/src_surfac.f.o lib_xtb.a.p/src_symparam.f90.o lib_xtb.a.p/src_symtranslib.f90.o lib_xtb.a.p/src_thermo.f90.o lib_xtb.a.p/src_timing.f90.o lib_xtb.a.p/src_tmgrad.f90.o lib_xtb.a.p/src_topology.f90.o lib_xtb.a.p/src_wrbas.f90.o lib_xtb.a.p/src_wrgbw.f90.o lib_xtb.a.p/src_wrmodef.f90.o lib_xtb.a.p/src_wrmo.f90.o lib_xtb.a.p/src_xhelp.f90.o lib_xtb.a.p/src_zmatpr.f90.o lib_xtb.a.p/symmetry_symmetry.f90.o lib_xtb.a.p/symmetry_symmetry_i.c.o [483/522] rm -f lib_xtb.a && gcc-ar csrD lib_xtb.a lib_xtb.a.p/src_api_calculator.f90.o lib_xtb.a.p/src_api_environment.f90.o lib_xtb.a.p/src_api_molecule.f90.o lib_xtb.a.p/src_api_interface.f90.o lib_xtb.a.p/src_api_results.f90.o lib_xtb.a.p/src_api_utils.f90.o lib_xtb.a.p/src_api_version.f90.o lib_xtb.a.p/src_coulomb_ewald.f90.o lib_xtb.a.p/src_coulomb_gaussian.f90.o lib_xtb.a.p/src_coulomb_klopmanohno.f90.o lib_xtb.a.p/src_disp_coordinationnumber.f90.o lib_xtb.a.p/src_disp_dftd3.f.o lib_xtb.a.p/src_disp_dftd3.f90.o lib_xtb.a.p/src_disp_dftd3_parameters.f90.o lib_xtb.a.p/src_disp_dftd4.f90.o lib_xtb.a.p/src_disp_dftd4_parameters.f90.o lib_xtb.a.p/src_disp_encharges.f90.o lib_xtb.a.p/src_disp_ncoord.f90.o lib_xtb.a.p/src_extern_mopac.f90.o lib_xtb.a.p/src_extern_orca.f90.o lib_xtb.a.p/src_extern_turbomole.f90.o lib_xtb.a.p/src_freq_project.f90.o lib_xtb.a.p/src_freq_utils.f90.o lib_xtb.a.p/src_gfnff_calculator.f90.o lib_xtb.a.p/src_gfnff_data.f90.o lib_xtb.a.p/src_gfnff_frag_hess.f90.o lib_xtb.a.p/src_gfnff_gdisp0.f90.o lib_xtb.a.p/src_gfnff_generator.f90.o lib_xtb.a.p/src_gfnff_gfnff_eg.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini.f90.o lib_xtb.a.p/src_gfnff_gfnff_ini2.f90.o lib_xtb.a.p/src_gfnff_gfnff_param.f90.o lib_xtb.a.p/src_gfnff_gfnff_qm.f90.o lib_xtb.a.p/src_gfnff_gfnff_rab.f.o lib_xtb.a.p/src_gfnff_gfnff_setup.f90.o lib_xtb.a.p/src_gfnff_math.f.o lib_xtb.a.p/src_gfnff_mrec.f90.o lib_xtb.a.p/src_gfnff_shake_module.f90.o lib_xtb.a.p/src_gfnff_struc_converter.f90.o lib_xtb.a.p/src_gfnff_topology.f90.o lib_xtb.a.p/src_io_reader_ctfile.f90.o lib_xtb.a.p/src_io_reader_gaussian.f90.o lib_xtb.a.p/src_io_reader_genformat.f90.o lib_xtb.a.p/src_io_reader_pdb.f90.o lib_xtb.a.p/src_io_reader_turbomole.f90.o lib_xtb.a.p/src_io_reader_vasp.f90.o lib_xtb.a.p/src_io_reader_xyz.f90.o lib_xtb.a.p/src_io_writer_ctfile.f90.o lib_xtb.a.p/src_io_writer_gaussian.f90.o lib_xtb.a.p/src_io_writer_genformat.f90.o lib_xtb.a.p/src_io_writer_orca.f90.o lib_xtb.a.p/src_io_writer_pdb.f90.o lib_xtb.a.p/src_io_writer_turbomole.f90.o lib_xtb.a.p/src_io_writer_vasp.f90.o lib_xtb.a.p/src_io_writer_xyz.f90.o lib_xtb.a.p/src_io_reader.f90.o lib_xtb.a.p/src_io_writer.f90.o lib_xtb.a.p/src_main_defaults.f90.o lib_xtb.a.p/src_main_geometry.f90.o lib_xtb.a.p/src_main_json.f90.o lib_xtb.a.p/src_main_property.f90.o lib_xtb.a.p/src_main_setup.f90.o lib_xtb.a.p/src_mctc_blas_level1.f90.o lib_xtb.a.p/src_mctc_blas_level2.f90.o lib_xtb.a.p/src_mctc_blas_level3.f90.o lib_xtb.a.p/src_mctc_blas_wrap1.f90.o lib_xtb.a.p/src_mctc_blas_wrap2.f90.o lib_xtb.a.p/src_mctc_blas_wrap3.f90.o lib_xtb.a.p/src_mctc_lapack_eigensolve.f90.o lib_xtb.a.p/src_mctc_lapack_geneigval.f90.o lib_xtb.a.p/src_mctc_lapack_gst.f90.o lib_xtb.a.p/src_mctc_lapack_stdeigval.f90.o lib_xtb.a.p/src_mctc_lapack_trf.f90.o lib_xtb.a.p/src_mctc_lapack_tri.f90.o lib_xtb.a.p/src_mctc_lapack_trs.f90.o lib_xtb.a.p/src_mctc_lapack_wrap.f90.o lib_xtb.a.p/src_mctc_accuracy.f90.o lib_xtb.a.p/src_mctc_boundaryconditions.f90.o lib_xtb.a.p/src_mctc_chartools.f90.o lib_xtb.a.p/src_mctc_convert.f90.o lib_xtb.a.p/src_mctc_filetypes.f90.o lib_xtb.a.p/src_mctc_io.f90.o lib_xtb.a.p/src_mctc_math.f90.o lib_xtb.a.p/src_mctc_namegen.f90.o lib_xtb.a.p/src_mctc_resize.f90.o lib_xtb.a.p/src_mctc_runtypes.f90.o lib_xtb.a.p/src_mctc_search.f90.o lib_xtb.a.p/src_mctc_sort.f90.o lib_xtb.a.p/src_mctc_symbols.f90.o lib_xtb.a.p/src_mctc_thresholds.f90.o lib_xtb.a.p/src_mctc_version.f90.o lib_xtb.a.p/src_mctc_mctc_global.f90.o lib_xtb.a.p/src_mctc_mctc_systools.f90.o lib_xtb.a.p/src_mctc_mctc_strings.f90.o lib_xtb.a.p/src_mctc_mctc_constants.f90.o lib_xtb.a.p/src_mctc_mctc_param.f90.o lib_xtb.a.p/src_mctc_param_atomic_masses.f90.o lib_xtb.a.p/src_mctc_param_chemical_hardnesses.f90.o lib_xtb.a.p/src_mctc_param_covalent_radii.f90.o lib_xtb.a.p/src_mctc_param_electronegativities.f90.o lib_xtb.a.p/src_mctc_param_pse.f90.o lib_xtb.a.p/src_mctc_param_r4r2_expectation_values.f90.o lib_xtb.a.p/src_mctc_mctc_timings.f90.o lib_xtb.a.p/src_mctc_mctc_filetools.f90.o lib_xtb.a.p/src_mctc_linalg.f90.o lib_xtb.a.p/src_mctc_lapack.f90.o lib_xtb.a.p/src_mctc_blas.f90.o lib_xtb.a.p/src_mctc_mctc_init.f90.o lib_xtb.a.p/src_mctc_error.f90.o lib_xtb.a.p/src_mctc_signal.c.o lib_xtb.a.p/src_param_atomicmass.f90.o lib_xtb.a.p/src_param_atomicrad.f90.o lib_xtb.a.p/src_param_covalentradd3.f90.o lib_xtb.a.p/src_param_paulingen.f90.o lib_xtb.a.p/src_param_sqrtzr4r2.f90.o lib_xtb.a.p/src_param_vdwradd3.f90.o lib_xtb.a.p/src_type_anc.f90.o lib_xtb.a.p/src_type_atomlist.f90.o lib_xtb.a.p/src_type_basisset.f90.o lib_xtb.a.p/src_type_buffer.f90.o lib_xtb.a.p/src_type_calculator.f90.o lib_xtb.a.p/src_type_coulomb.f90.o lib_xtb.a.p/src_type_data.f90.o lib_xtb.a.p/src_type_dispersion_model.f90.o lib_xtb.a.p/src_type_dummycalc.f90.o lib_xtb.a.p/src_type_environment.f90.o lib_xtb.a.p/src_type_fragments.f90.o lib_xtb.a.p/src_type_identitymap.f90.o lib_xtb.a.p/src_type_iohandler.f90.o lib_xtb.a.p/src_type_molecule.f90.o lib_xtb.a.p/src_type_neighbourlist.f90.o lib_xtb.a.p/src_type_latticepoint.f90.o lib_xtb.a.p/src_type_options.f90.o lib_xtb.a.p/src_type_param.f90.o lib_xtb.a.p/src_type_pcem.f90.o lib_xtb.a.p/src_type_reader.F90.o lib_xtb.a.p/src_type_setvar.f90.o lib_xtb.a.p/src_type_solvent.f90.o lib_xtb.a.p/src_type_timer.f90.o lib_xtb.a.p/src_type_topology.f90.o lib_xtb.a.p/src_type_wavefunction.f90.o lib_xtb.a.p/src_type_wignerseitzcell.f90.o lib_xtb.a.p/src_type_wsc.f90.o lib_xtb.a.p/src_type_vendordata.f90.o lib_xtb.a.p/src_solv_cm5.f90.o lib_xtb.a.p/src_solv_gbobc.f90.o lib_xtb.a.p/src_solv_lebedev.f90.o lib_xtb.a.p/src_xtb_basisset.f90.o lib_xtb.a.p/src_xtb_calculator.f90.o lib_xtb.a.p/src_xtb_coulomb.f90.o lib_xtb.a.p/src_xtb_data.f90.o lib_xtb.a.p/src_xtb_dispersion.f90.o lib_xtb.a.p/src_xtb_eeq.f90.o lib_xtb.a.p/src_xtb_gfn0.f90.o lib_xtb.a.p/src_xtb_gfn1.f90.o lib_xtb.a.p/src_xtb_gfn2.f90.o lib_xtb.a.p/src_xtb_halogen.f90.o lib_xtb.a.p/src_xtb_hamiltonian.f90.o lib_xtb.a.p/src_xtb_multipole.f90.o lib_xtb.a.p/src_xtb_repulsion.f90.o lib_xtb.a.p/src_xtb_thirdorder.f90.o lib_xtb.a.p/src_aespot.f90.o lib_xtb.a.p/src_anharmlib.f90.o lib_xtb.a.p/src_aoparam.f90.o lib_xtb.a.p/src_approxrab.f90.o lib_xtb.a.p/src_axis_trafo.f90.o lib_xtb.a.p/src_basic_geo.f90.o lib_xtb.a.p/src_bfgs.f90.o lib_xtb.a.p/src_bias_path.f90.o lib_xtb.a.p/src_blowsy.f90.o lib_xtb.a.p/src_broyden.f90.o lib_xtb.a.p/src_charge_model.f90.o lib_xtb.a.p/src_coffee.f90.o lib_xtb.a.p/src_constrain_param.f90.o lib_xtb.a.p/src_constrain_pot.f90.o lib_xtb.a.p/src_constr.f90.o lib_xtb.a.p/src_cqpath.f90.o lib_xtb.a.p/src_cube.f90.o lib_xtb.a.p/src_david2.f90.o lib_xtb.a.p/src_david.f.o lib_xtb.a.p/src_define.f90.o lib_xtb.a.p/src_detrotra.f90.o lib_xtb.a.p/src_dipole.f90.o lib_xtb.a.p/src_drsp.f.o lib_xtb.a.p/src_dtrafo.f90.o lib_xtb.a.p/src_dynamic.f90.o lib_xtb.a.p/src_eeq_model.f90.o lib_xtb.a.p/src_elem.f90.o lib_xtb.a.p/src_embedding.f90.o lib_xtb.a.p/src_enso_printout.f90.o lib_xtb.a.p/src_eqrot.f90.o lib_xtb.a.p/src_esp.f.o lib_xtb.a.p/src_expire.f90.o lib_xtb.a.p/src_filetools.F90.o lib_xtb.a.p/src_fixparam.f90.o lib_xtb.a.p/src_foden.f90.o lib_xtb.a.p/src_fragment.f90.o lib_xtb.a.p/src_generate_wsc.f90.o lib_xtb.a.p/src_geoopt_driver.f90.o lib_xtb.a.p/src_geosum.f90.o lib_xtb.a.p/src_getname.f90.o lib_xtb.a.p/src_getsymnum.f90.o lib_xtb.a.p/src_gfn0param.f90.o lib_xtb.a.p/src_gfn_paramset.f90.o lib_xtb.a.p/src_gfn_prparam.f90.o lib_xtb.a.p/src_grad_core.f90.o lib_xtb.a.p/src_header.f90.o lib_xtb.a.p/src_hessian.F90.o lib_xtb.a.p/src_hlex.f90.o lib_xtb.a.p/src_ifind.f90.o lib_xtb.a.p/src_iniq.f90.o lib_xtb.a.p/src_intgrad.f90.o lib_xtb.a.p/src_intmodes.f90.o lib_xtb.a.p/src_intpack.f90.o lib_xtb.a.p/src_lidep.f90.o lib_xtb.a.p/src_lindh.f90.o lib_xtb.a.p/src_lin.f90.o lib_xtb.a.p/src_lin_mod.f90.o lib_xtb.a.p/src_local.f90.o lib_xtb.a.p/src_locmode.f90.o lib_xtb.a.p/src_lopt.f90.o lib_xtb.a.p/src_ls_rmsd.f90.o lib_xtb.a.p/src_makel.f90.o lib_xtb.a.p/src_matinv.f90.o lib_xtb.a.p/src_mdoptim.f90.o lib_xtb.a.p/src_metadynamic.f90.o lib_xtb.a.p/src_modef.f90.o lib_xtb.a.p/src_model_hessian.f90.o lib_xtb.a.p/src_neighbor.f90.o lib_xtb.a.p/src_onetri.f90.o lib_xtb.a.p/src_optimizer.f90.o lib_xtb.a.p/src_pbc.f90.o lib_xtb.a.p/src_pbc_tools.f90.o lib_xtb.a.p/src_peeq_module.f90.o lib_xtb.a.p/src_pocketscan.f90.o lib_xtb.a.p/src_pqn.f90.o lib_xtb.a.p/src_printmold.f90.o lib_xtb.a.p/src_printout.f90.o lib_xtb.a.p/src_prmat.f90.o lib_xtb.a.p/src_pseudodiag.f90.o lib_xtb.a.p/src_qmdff.f90.o lib_xtb.a.p/src_qpot.f90.o lib_xtb.a.p/src_qsort.f90.o lib_xtb.a.p/src_rdcoord2.f90.o lib_xtb.a.p/src_read_gfn_param.f90.o lib_xtb.a.p/src_readin.f90.o lib_xtb.a.p/src_readl2.f90.o lib_xtb.a.p/src_readl.f90.o lib_xtb.a.p/src_relaxation_engine.f90.o lib_xtb.a.p/src_restart.f90.o lib_xtb.a.p/src_rmrottr.f90.o lib_xtb.a.p/src_rmsd.f90.o lib_xtb.a.p/src_scan_driver.f90.o lib_xtb.a.p/src_scanparam.f90.o lib_xtb.a.p/src_scc_core.f90.o lib_xtb.a.p/src_scf_module.f90.o lib_xtb.a.p/src_screening.f90.o lib_xtb.a.p/src_set_module.f90.o lib_xtb.a.p/src_setparam.f90.o lib_xtb.a.p/src_shake_module.f90.o lib_xtb.a.p/src_shiftlp.f90.o lib_xtb.a.p/src_single.f90.o lib_xtb.a.p/src_slater.f90.o lib_xtb.a.p/src_sphereparam.f90.o lib_xtb.a.p/src_spline2.f90.o lib_xtb.a.p/src_spline3.f90.o lib_xtb.a.p/src_splitparam.f90.o lib_xtb.a.p/src_stm.f.o lib_xtb.a.p/src_surfac.f.o lib_xtb.a.p/src_symparam.f90.o lib_xtb.a.p/src_symtranslib.f90.o lib_xtb.a.p/src_thermo.f90.o lib_xtb.a.p/src_timing.f90.o lib_xtb.a.p/src_tmgrad.f90.o lib_xtb.a.p/src_topology.f90.o lib_xtb.a.p/src_wrbas.f90.o lib_xtb.a.p/src_wrgbw.f90.o lib_xtb.a.p/src_wrmodef.f90.o lib_xtb.a.p/src_wrmo.f90.o lib_xtb.a.p/src_xhelp.f90.o lib_xtb.a.p/src_zmatpr.f90.o lib_xtb.a.p/symmetry_symmetry.f90.o lib_xtb.a.p/symmetry_symmetry_i.c.o [484/522] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_submodules.f90.o -c ../src/prog/submodules.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/prog/submodules.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/submodules.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [485/522] true [486/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tests_peeq.f90.o -c ../TESTSUITE/tests_peeq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/tests_peeq.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/tests_peeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/tests_peeq.f90:8:7: 8 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../TESTSUITE/tests_peeq.f90:8:7: 8 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising] ../TESTSUITE/tests_peeq.f90:18:19: 18 | integer :: idum,nargs | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../TESTSUITE/tests_peeq.f90:17:21: 17 | integer :: testid | 1 Warning: Unused variable ‘testid’ declared at (1) [-Wunused-variable] [487/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/assertion.f90.o -c ../TESTSUITE/assertion.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/assertion.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/assertion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/assertion.f90:2:21: 2 | use, intrinsic :: iso_fortran_env | 1 Warning: Use of the NUMERIC_STORAGE_SIZE named constant from intrinsic module ISO_FORTRAN_ENV at (1) is incompatible with option -fdefault-real-8 [488/522] true [489/522] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_argparser.f90.o -c ../src/prog/argparser.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/prog/argparser.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/argparser.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [490/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/coordinationnumber.f90.o -c ../TESTSUITE/coordinationnumber.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/coordinationnumber.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [491/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/eeq_model.f90.o -c ../TESTSUITE/eeq_model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/eeq_model.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/eeq_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/eeq_model.f90:171:35: 171 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../TESTSUITE/eeq_model.f90:171:42: 171 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1 Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable] [492/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/eeq.f90.o -c ../TESTSUITE/eeq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/eeq.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/eeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/eeq.f90:36:21: 36 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../TESTSUITE/eeq.f90:146:21: 146 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [493/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/dftd3.f90.o -c ../TESTSUITE/dftd3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/dftd3.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/dftd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/dftd3.f90:74:32: 74 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd3.f90:262:32: 262 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd3.f90:259:53: 259 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd3.f90:455:32: 455 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd3.f90:452:53: 452 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd3.f90:633:32: 633 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd3.f90:630:53: 630 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] [494/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/dftd4.f90.o -c ../TESTSUITE/dftd4.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/dftd4.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/dftd4.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/dftd4.f90:81:32: 81 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:298:32: 298 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:295:53: 295 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:523:58: 523 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:523:45: 523 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:515:32: 515 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:523:32: 523 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:512:53: 512 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:708:58: 708 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:708:45: 708 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:700:32: 700 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:708:32: 708 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../TESTSUITE/dftd4.f90:697:53: 697 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] [495/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/geometry_reader.f90.o -c ../TESTSUITE/geometry_reader.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/geometry_reader.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/geometry_reader.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/geometry_reader.f90:345:28: 345 | type(TEnvironment) :: env | 1 Warning: Unused variable ‘env’ declared at (1) [-Wunused-variable] ../TESTSUITE/geometry_reader.f90:346:18: 346 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/geometry_reader.f90:343:19: 343 | integer :: iunit | 1 Warning: Unused variable ‘iunit’ declared at (1) [-Wunused-variable] ../TESTSUITE/geometry_reader.f90:344:25: 344 | type(TMolecule) :: mol | 1 Warning: Unused variable ‘mol’ declared at (1) [-Wunused-variable] ../TESTSUITE/geometry_reader.f90:402:28: 402 | type(TEnvironment) :: env | 1 Warning: Unused variable ‘env’ declared at (1) [-Wunused-variable] ../TESTSUITE/geometry_reader.f90:403:18: 403 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/geometry_reader.f90:400:19: 400 | integer :: iunit | 1 Warning: Unused variable ‘iunit’ declared at (1) [-Wunused-variable] ../TESTSUITE/geometry_reader.f90:401:25: 401 | type(TMolecule) :: mol | 1 Warning: Unused variable ‘mol’ declared at (1) [-Wunused-variable] [496/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn0.f90.o -c ../TESTSUITE/gfn0.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/gfn0.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/gfn0.f90:63:37: 63 | logical :: okpar,okbas,exist,diff | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [497/522] true [498/522] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_topology.f90.o -c ../src/prog/topology.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/prog/topology.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prog/topology.f90:23:7: 23 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/topology.f90:23:7: 23 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising] ../src/prog/topology.f90:150:45: 150 | character(len=:), allocatable :: flag, sec | 1 Warning: Unused variable ‘sec’ declared at (1) [-Wunused-variable] [499/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/coulomb.f90.o -c ../TESTSUITE/coulomb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/coulomb.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/coulomb.f90:51:18: 51 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/coulomb.f90:222:18: 222 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/coulomb.f90:398:18: 398 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/coulomb.f90:660:18: 660 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/coulomb.f90:860:18: 860 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/coulomb.f90:1141:18: 1141 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/coulomb.f90:1304:18: 1304 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/coulomb.f90:1478:18: 1478 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [500/522] true [501/522] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_thermo.f90.o -c ../src/prog/thermo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/prog/thermo.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prog/thermo.f90:23:7: 23 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/thermo.f90:23:7: 23 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising] [502/522] true [503/522] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_info.f90.o -c ../src/prog/info.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/prog/info.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/info.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [504/522] true [505/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn1.f90.o -c ../TESTSUITE/gfn1.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/gfn1.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/gfn1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/gfn1.f90:55:31: 55 | logical :: okpar,okbas,diff,exitRun | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfn1.f90:511:29: 511 | type(tb_pcem) :: pcem | 1 Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfn1.f90:519:26: 519 | real(wp) :: stress(3,3) | 1 Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable] [506/522] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_main.F90.o -c ../src/prog/main.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran ../src/prog/main.F90:21:7: 21 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/main.F90:21:7: 21 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘present’ at (1) is ignored [-Wsurprising] ../src/prog/main.F90:114:33: 114 | type(chrg_parameter) :: chrgeq | 1 Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:182:22: 182 | logical :: epr,diff,murks | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:171:19: 171 | real(wp) :: dum5,egap,etot,ipeashift | 1 Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:145:45: 145 | real(wp),allocatable :: dumdumdum (:,:,:) | 1 Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:182:17: 182 | logical :: epr,diff,murks | 1 Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:181:16: 181 | logical :: ex,okbas | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:188:21: 188 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:172:46: 172 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:142:33: 142 | type(TxTBParameter) :: globpar | 1 Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:186:23: 186 | logical :: newreader | 1 Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:193:19: 193 | integer :: nproc | 1 Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:181:22: 181 | logical :: ex,okbas | 1 Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:192:38: 192 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1 Warning: Unused variable ‘omp_get_num_threads’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:192:58: 192 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1 Warning: Unused variable ‘omp_get_thread_num’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:146:33: 146 | real(wp),allocatable :: q (:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:147:34: 147 | real(wp),allocatable :: ql (:) | 1 Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:148:34: 148 | real(wp),allocatable :: qr (:) | 1 Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:172:22: 172 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:172:25: 172 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:192:17: 192 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1 Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:175:28: 175 | real(wp) :: vomega,vfukui | 1 Warning: Unused variable ‘vfukui’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:172:28: 172 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:172:31: 172 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/prog/main.F90: In function ‘__xtb_prog_main_MOD_xtbmain’: ../src/prog/main.F90:687: warning: ‘ip’ may be used uninitialized in this function [-Wmaybe-uninitialized] 687 | vomega=(ip+ea)**2/(8*(ip-ea)) | [507/522] true [508/522] gfortran -Ixtb.p -I. -I.. -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_primary.f90.o -c ../src/prog/primary.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../src/prog/primary.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/primary.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [509/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfn2.f90.o -c ../TESTSUITE/gfn2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/gfn2.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [510/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/gfnff.f90.o -c ../TESTSUITE/gfnff.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/gfnff.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/gfnff.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/gfnff.f90:45:20: 45 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:42:38: 42 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:43:19: 43 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:128:20: 128 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:125:38: 125 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:126:19: 126 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:214:20: 214 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:211:38: 211 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../TESTSUITE/gfnff.f90:212:19: 212 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] [511/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/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 [512/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/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 [513/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/repulsion.f90.o -c ../TESTSUITE/repulsion.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/repulsion.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/repulsion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/repulsion.f90:49:18: 49 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../TESTSUITE/repulsion.f90:183:18: 183 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [514/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/symmetry.f90.o -c ../TESTSUITE/symmetry.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/symmetry.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/symmetry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [515/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/thermo.f90.o -c ../TESTSUITE/thermo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/thermo.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../TESTSUITE/thermo.f90:33:38: 33 | real(wp) :: eval3(3), coord3(3,nat) | 1 Warning: Unused variable ‘coord3’ declared at (1) [-Wunused-variable] ../TESTSUITE/thermo.f90:33:23: 33 | real(wp) :: eval3(3), coord3(3,nat) | 1 Warning: Unused variable ‘eval3’ declared at (1) [-Wunused-variable] ../TESTSUITE/thermo.f90:208:19: 208 | real(wp) :: etot, htot, gtot | 1 Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] [516/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tbdef_atomlist.f90.o -c ../TESTSUITE/tbdef_atomlist.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/tbdef_atomlist.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/tbdef_atomlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [517/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/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 [518/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/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] [519/522] gfortran -ITESTSUITE/xtb_test.p -ITESTSUITE -I../TESTSUITE -I../include -Ilib_xtb.a.p -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -pipe -D_FILE_OFFSET_BITS=64 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -frecursive -fexternal-blas -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -JTESTSUITE/xtb_test.p -o TESTSUITE/xtb_test.p/tbdef_wsc.f90.o -c ../TESTSUITE/tbdef_wsc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran annobin: ../TESTSUITE/tbdef_wsc.f90: Warning: -D_FORTIFY_SOURCE not defined annobin: ../TESTSUITE/tbdef_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [520/522] gcc -o libxtb.so.6.3.1 -Wl,--as-needed -Wl,--no-undefined -shared -fPIC -Wl,--start-group -Wl,-soname,libxtb.so.6 -Wl,--whole-archive lib_xtb.a -Wl,--no-whole-archive -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -lopenblaso -fopenmp -pthread -lgfortran -lm -Wl,--end-group lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch] ../src/mctc/blas/level3.f90:808: note: type mismatch in parameter 14 808 | call blas_gemm(tra, trb, m, n, k, a, amat, lda, bmat, ldb, b, cmat, ldc) | ../src/mctc/blas/level3.f90:808: note: type ‘long int’ should match type ‘int’ ../src/mctc/blas/level3.f90:808: note: ‘dgemm’ was previously declared here ../src/mctc/blas/level3.f90:808: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/main/property.f90:474: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch] 474 | call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond) | ../src/fragment.f90:72:23: note: ‘cutcov’ was previously declared here 72 | subroutine cutcov(n,at,xyz,cn,wb,bond) | ^ ../src/fragment.f90:72:23: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/main/property.f90:475: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch] 475 | call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec) | ../src/fragment.f90:18:23: note: ‘mrec’ was previously declared here 18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec) | ^ ../src/fragment.f90:18:23: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/constrain_pot.f90:360: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch] 360 | call constrpot(fix,n,at,xyz,gr,e) | ../src/constr.f90:158: note: type mismatch in parameter 6 158 | subroutine constrpot(nat,at,xyz,g,e) | ../src/constr.f90:158: note: ‘constrpot’ was previously declared here ../src/constr.f90:158: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [521/522] gfortran -o xtb xtb.p/src_prog_argparser.f90.o xtb.p/src_prog_info.f90.o xtb.p/src_prog_main.F90.o xtb.p/src_prog_primary.f90.o xtb.p/src_prog_submodules.f90.o xtb.p/src_prog_thermo.f90.o xtb.p/src_prog_topology.f90.o -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -Wl,--start-group lib_xtb.a -lopenblaso -fopenmp -pthread '-Wl,-rpath,$ORIGIN/' -Wl,-rpath-link,/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/ -lgfortran -lm -Wl,--end-group lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch] ../src/mctc/blas/level3.f90:808: note: type mismatch in parameter 14 808 | call blas_gemm(tra, trb, m, n, k, a, amat, lda, bmat, ldb, b, cmat, ldc) | ../src/mctc/blas/level3.f90:808: note: type ‘long int’ should match type ‘int’ ../src/mctc/blas/level3.f90:808: note: ‘dgemm’ was previously declared here ../src/mctc/blas/level3.f90:808: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/main/property.f90:474: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch] 474 | call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond) | ../src/fragment.f90:72:23: note: ‘cutcov’ was previously declared here 72 | subroutine cutcov(n,at,xyz,cn,wb,bond) | ^ ../src/fragment.f90:72:23: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/main/property.f90:475: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch] 475 | call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec) | ../src/fragment.f90:18:23: note: ‘mrec’ was previously declared here 18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec) | ^ ../src/fragment.f90:18:23: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/constrain_pot.f90:360: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch] 360 | call constrpot(fix,n,at,xyz,gr,e) | ../src/constr.f90:158: note: type mismatch in parameter 6 158 | subroutine constrpot(nat,at,xyz,g,e) | ../src/constr.f90:158: note: ‘constrpot’ was previously declared here ../src/constr.f90:158: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/prog/main.F90:1105: warning: type of ‘help’ does not match original declaration [-Wlto-type-mismatch] 1105 | call help(env%unit) | ../src/xhelp.f90:61: note: type mismatch in parameter 1 61 | subroutine help | ../src/xhelp.f90:61: note: ‘help’ was previously declared here [522/522] gfortran -o TESTSUITE/xtb_test TESTSUITE/xtb_test.p/assertion.f90.o TESTSUITE/xtb_test.p/coordinationnumber.f90.o TESTSUITE/xtb_test.p/coulomb.f90.o TESTSUITE/xtb_test.p/eeq.f90.o TESTSUITE/xtb_test.p/eeq_model.f90.o TESTSUITE/xtb_test.p/dftd3.f90.o TESTSUITE/xtb_test.p/dftd4.f90.o TESTSUITE/xtb_test.p/geometry_reader.f90.o TESTSUITE/xtb_test.p/gfn0.f90.o TESTSUITE/xtb_test.p/gfn1.f90.o TESTSUITE/xtb_test.p/gfn2.f90.o TESTSUITE/xtb_test.p/gfnff.f90.o TESTSUITE/xtb_test.p/latticepoint.f90.o TESTSUITE/xtb_test.p/pbc_tools.f90.o TESTSUITE/xtb_test.p/peeq.f90.o TESTSUITE/xtb_test.p/repulsion.f90.o TESTSUITE/xtb_test.p/symmetry.f90.o TESTSUITE/xtb_test.p/tests_peeq.f90.o TESTSUITE/xtb_test.p/thermo.f90.o TESTSUITE/xtb_test.p/tbdef_atomlist.f90.o TESTSUITE/xtb_test.p/tbdef_molecule.f90.o TESTSUITE/xtb_test.p/tbdef_wsc.f90.o -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -Wl,--start-group lib_xtb.a -lopenblaso -fopenmp -pthread '-Wl,-rpath,$ORIGIN/..' -Wl,-rpath-link,/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/ -lgfortran -lm -Wl,--end-group ../src/main/property.f90:474: warning: type of ‘cutcov’ does not match original declaration [-Wlto-type-mismatch] 474 | call cutcov(mol%n,mol%at,mol%xyz,cn,wfx%wbo,bond) | ../src/fragment.f90:72:23: note: ‘cutcov’ was previously declared here 72 | subroutine cutcov(n,at,xyz,cn,wb,bond) | ^ ../src/fragment.f90:72:23: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/main/property.f90:475: warning: type of ‘mrec’ does not match original declaration [-Wlto-type-mismatch] 475 | call mrec(i,mol%xyz,cn,bond,mol%n,mol%at,molvec) | ../src/fragment.f90:18:23: note: ‘mrec’ was previously declared here 18 | subroutine mrec(molcount,xyz,cn,bond,nat,at,molvec) | ^ ../src/fragment.f90:18:23: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../src/constrain_pot.f90:360: warning: type of ‘constrpot’ does not match original declaration [-Wlto-type-mismatch] 360 | call constrpot(fix,n,at,xyz,gr,e) | ../src/constr.f90:158: note: type mismatch in parameter 6 158 | subroutine constrpot(nat,at,xyz,g,e) | ../src/constr.f90:158: note: ‘constrpot’ was previously declared here ../src/constr.f90:158: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used ../TESTSUITE/tests_peeq.f90:36:35: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 36 | call raise('E',"Please give the tester a test to run!") | ^ ../src/mctc/error.f90:18: note: type mismatch in parameter 3 18 | subroutine raise(mode,message,code) | ../src/mctc/error.f90:18: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used lto1: warning: type of ‘dgemm_’ does not match original declaration [-Wlto-type-mismatch] ../TESTSUITE/eeq.f90:249: note: type mismatch in parameter 14 249 | mol%lattice(:, :) = matmul(eps, lattice) | ../TESTSUITE/eeq.f90:249: note: type ‘long int’ should match type ‘int’ ../TESTSUITE/eeq.f90:249: note: ‘dgemm’ was previously declared here ../TESTSUITE/eeq.f90:249: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used Found runner: /usr/bin/ninja + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.XZYsIA + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64 ++ dirname /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64 + cd xtb-6.3.1 + DESTDIR=/builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64 + /usr/bin/meson install -C riscv64-redhat-linux-gnu --no-rebuild Installing libxtb.so.6.3.1 to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64 Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64 Installing xtb to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/bin Installing /builddir/build/BUILD/xtb-6.3.1/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/include/ Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb.1 to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/man/man1 Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xcontrol.7 to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/man/man7 Installing /builddir/build/BUILD/xtb-6.3.1/param_gfn0-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.3.1/param_gfn2-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.3.1/param_gfn1-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.3.1/param_ipea-xtb.txt to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.3.1/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/assets/config_env.bash to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/assets/config_env.csh to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/assets/xtb.pc to /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/pkgconfig + rm /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/libxtb.a + mkdir -p /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/etc/profile.d + cat + cat + /usr/lib/rpm/find-debuginfo.sh -j4 --strict-build-id -m -i --build-id-seed 6.3.1-5.fc33 --unique-debug-suffix -6.3.1-5.fc33.riscv64 --unique-debug-src-base xtb-6.3.1-5.fc33.riscv64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.3.1 explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/libxtb.so.6.3.1 explicitly decompress any DWARF compressed ELF sections in /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/bin/xtb extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/lib64/libxtb.so.6.3.1 extracting debug info from /builddir/build/BUILDROOT/xtb-6.3.1-5.fc33.riscv64/usr/bin/xtb original debug info size: 31920kB, size after compression: 30044kB /usr/lib/rpm/sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match. cpio: riscv64-redhat-linux-gnu/param_gbsa_acetone.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_acetonitrile.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_benzene.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_ch2cl2.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_chcl3.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_cs2.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_dmf.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_dmso.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_ether.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_h2o.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_methanol.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_nhexan.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_thf.inc: Cannot stat: No such file or directory cpio: riscv64-redhat-linux-gnu/param_gbsa_toluene.inc: Cannot stat: No such file or directory 10944 blocks + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 + /usr/lib/rpm/brp-python-hardlink + /usr/lib/rpm/redhat/brp-mangle-shebangs mangling shebang in /usr/share/xtb/config_env.bash from /bin/bash to #!/usr/bin/bash mangling shebang in /usr/share/xtb/config_env.csh from /bin/csh to #!/usr/bin/csh Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.WVzFiB + umask 022 + cd /builddir/build/BUILD + cd xtb-6.3.1 + /usr/bin/meson test -C riscv64-redhat-linux-gnu --num-processes 4 --print-errorlogs ninja: Entering directory `/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' [1/482] Dep hack [2/482] Dep hack [3/482] Dep hack [4/482] Dep hack [5/482] Dep hack [6/429] Dep hack [7/429] Dep hack [8/429] Dep hack [9/429] Dep hack [10/429] Dep hack 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FAIL 1.14s (exit status 2) 8/84 IP/EA FAIL 1.05s (exit status 2) 9/84 GFN0-xTB FAIL 1.19s (exit status 2) 10/84 GFN1-xTB FAIL 1.16s (exit status 2) 11/84 GFN2-xTB/GBSA FAIL 1.09s (exit status 2) 12/84 GFN-FF FAIL 1.00s (exit status 2) 13/84 Molecule: axis FAIL 1.37s (exit status 2) 14/84 Molecule: MIC FAIL 1.12s (exit status 2) 15/84 Lattice points: PBC-3D FAIL 1.13s (exit status 2) 16/84 Wigner-Seitz Cell (3D) FAIL 1.36s (exit status 2) 17/84 coord 3D FAIL 1.25s (exit status 2) 18/84 coord 3D FAIL 1.41s (exit status 2) 19/84 coord 2D FAIL 1.46s (exit status 2) 20/84 coord 1D FAIL 1.14s (exit status 2) 21/84 coord 0D FAIL 1.47s (exit status 2) 22/84 Xmol 0D FAIL 1.40s (exit status 2) 23/84 POSCAR FAIL 2.00s (exit status 2) 24/84 molfile FAIL 1.33s (exit status 2) 25/84 molfile flat FAIL 1.26s (exit status 2) 26/84 SDF FAIL 1.69s (exit status 2) 27/84 SDF flat FAIL 1.52s (exit status 2) 28/84 SDF no H EXPECTEDFAIL 1.17s 29/84 PDB FAIL 1.43s (exit status 2) 30/84 PDB no H EXPECTEDFAIL 1.04s 31/84 genFormat FAIL 1.49s (exit status 2) 32/84 PBC tools: convert FAIL 1.19s (exit status 2) 33/84 PBC tools: cutoff FAIL 1.10s (exit status 2) 34/84 Symmetry: Water FAIL 0.94s (exit status 2) 35/84 Symmetry: Li8 FAIL 0.97s (exit status 2) 36/84 Symmetry: PCl3 FAIL 1.04s (exit status 2) 37/84 Symmetry: large FAIL 1.01s (exit status 2) 38/84 Thermo: axis FAIL 1.24s (exit status 2) 39/84 Thermo: calculation FAIL 1.10s (exit status 2) 40/84 Thermo: print FAIL 0.89s (exit status 2) 41/84 Repulsion: 0D FAIL 1.36s (exit status 2) 42/84 Repulsion: 3D FAIL 1.11s (exit status 2) 43/84 Coulomb: point (0D) FAIL 1.13s (exit status 2) 44/84 Coulomb: point (3D) FAIL 1.17s (exit status 2) 45/84 Coulomb: GFN1 (0D) FAIL 1.04s (exit status 2) 46/84 Coulomb: GFN1 (3D) FAIL 1.23s (exit status 2) 47/84 Coulomb: GFN2 (0D) FAIL 1.44s (exit status 2) 48/84 Coulomb: GFN2 (3D) FAIL 1.38s (exit status 2) 49/84 Coulomb: Gauss. (0D) FAIL 1.19s (exit status 2) 50/84 Coulomb: Gauss. (3D) FAIL 1.35s (exit status 2) 51/84 EEQ model: water FAIL 1.24s (exit status 2) 52/84 EEQ model: 3D Ewald FAIL 1.03s (exit status 2) 53/84 EEQ model: GBSA FAIL 1.28s (exit status 2) 54/84 EEQ model: GBSA (salt) FAIL 1.13s (exit status 2) 55/84 EEQ model: GBSA (H-bond) FAIL 1.15s (exit status 2) 56/84 CN: latticepoints FAIL 1.14s (exit status 2) 57/84 CN: neighbourlist FAIL 1.24s (exit status 2) 58/84 DFT-D3: latticepoints FAIL 1.04s (exit status 2) 59/84 DFT-D3: neighbourlist FAIL 1.17s (exit status 2) 60/84 DFT-D3: threebody (LP) FAIL 1.27s (exit status 2) 61/84 DFT-D3: threebody (NL) FAIL 1.11s (exit status 2) 62/84 DFT-D4: latticepoints FAIL 1.25s (exit status 2) 63/84 DFT-D4: neighbourlist FAIL 1.09s (exit status 2) 64/84 DFT-D4: threebody (LP) FAIL 1.01s (exit status 2) 65/84 DFT-D4: threebody (NL) FAIL 1.51s (exit status 2) 66/84 GFN2-xTB: SCC FAIL 1.39s (exit status 2) 67/84 GFN2-xTB: API FAIL 1.06s (exit status 2) 68/84 GFN2-xTB: API (GBSA) FAIL 1.28s (exit status 2) 69/84 GFN2-xTB: API (GBSA+salt) FAIL 1.17s (exit status 2) 70/84 GFN1-xTB: SCC FAIL 1.33s (exit status 2) 71/84 GFN1-xTB: API FAIL 1.12s (exit status 2) 72/84 GFN1-xTB: XB FAIL 1.43s (exit status 2) 73/84 GFN1-xTB: PBC FAIL 1.07s (exit status 2) 74/84 GFN1-xTB: API (GBSA) FAIL 1.14s (exit status 2) 75/84 GFN1-xTB: API (PCEM) FAIL 1.23s (exit status 2) 76/84 GFN0-xTB: SP FAIL 1.28s (exit status 2) 77/84 GFN0-xTB: API FAIL 1.32s (exit status 2) 78/84 GFN0-xTB: SRB FAIL 1.36s (exit status 2) 79/84 GFN0-xTB: SP (PBC) FAIL 1.37s (exit status 2) 80/84 GFN0-xTB: API (PBC) FAIL 1.21s (exit status 2) 81/84 GFN0-xTB: SRB (PBC) FAIL 0.99s (exit status 2) 82/84 GFN-FF: SP FAIL 1.39s (exit status 2) 83/84 GFN-FF: SP (HB) FAIL 1.34s (exit status 2) 84/84 GFN-FF: GBSA FAIL 1.08s (exit status 2) Ok: 0 Expected Fail: 3 Fail: 81 Unexpected Pass: 0 Skipped: 0 Timeout: 0 The output from 10 first failed tests: 1/84 Argparser: print version FAIL 1.46s (exit status 2) --- command --- 05:38:06 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --version --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fcca1b4bf in ??? #1 0x3fcca1bdd3 in ??? #2 0x3fcca1c093 in ??? #3 0x3fccadf0fd in ??? #4 0x2ac19299d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2ac19dd13d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2ac19079a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2ac19079a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2ac19079a1 in main at ../src/prog/primary.f90:20 ------- 2/84 Argparser: print help FAIL 1.22s (exit status 2) --- command --- 05:38:06 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --help --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fbe4574bf in ??? #1 0x3fbe457dd3 in ??? #2 0x3fbe458093 in ??? #3 0x3fbe51b0fd in ??? #4 0x2ab6b1f9d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2ab6bd313d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2ab6afd9a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2ab6afd9a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2ab6afd9a1 in main at ../src/prog/primary.f90:20 ------- 3/84 Argparser: print license FAIL 1.59s (exit status 2) --- command --- 05:38:06 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --license --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fdf0ae4bf in ??? #1 0x3fdf0aedd3 in ??? #2 0x3fdf0af093 in ??? #3 0x3fdf1720fd in ??? #4 0x2ace8389d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2ace8ec13d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2ace8169a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2ace8169a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2ace8169a1 in main at ../src/prog/primary.f90:20 ------- 5/84 Info FAIL 0.77s (exit status 2) --- command --- 05:38:07 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb info /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/coord/caffeine.coord /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/coord/quartz.3d.coord /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/vasp/ammonia.vasp /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/../TESTSUITE/../assets/inputs/xyz/taxol.xyz --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fc65954bf in ??? #1 0x3fc6595dd3 in ??? #2 0x3fc6596093 in ??? #3 0x3fc66590fd in ??? #4 0x2ab76829d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2ab773613d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2ab76609a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2ab76609a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2ab76609a1 in main at ../src/prog/primary.f90:20 ------- 6/84 Singlepoint FAIL 0.75s (exit status 2) --- command --- 05:38:07 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --strict --norestart --namespace test1 --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fc89554bf in ??? #1 0x3fc8955dd3 in ??? #2 0x3fc8956093 in ??? #3 0x3fc8a190fd in ??? #4 0x2abf3da9d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2abf48e13d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2abf3b89a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2abf3b89a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2abf3b89a1 in main at ../src/prog/primary.f90:20 ------- 7/84 Geometry opt. FAIL 1.14s (exit status 2) --- command --- 05:38:08 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --opt --strict --norestart --namespace test2 --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fca34c4bf in ??? #1 0x3fca34cdd3 in ??? #2 0x3fca34d093 in ??? #3 0x3fca4100fd in ??? #4 0x2abbdc29d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2abbe7613d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2abbda09a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2abbda09a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2abbda09a1 in main at ../src/prog/primary.f90:20 ------- 8/84 IP/EA FAIL 1.05s (exit status 2) --- command --- 05:38:08 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 2 --vipea --strict --norestart --namespace test3 --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fe20c44bf in ??? #1 0x3fe20c4dd3 in ??? #2 0x3fe20c5093 in ??? #3 0x3fe21880fd in ??? #4 0x2adef039d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2adefb713d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2adeee19a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2adeee19a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2adeee19a1 in main at ../src/prog/primary.f90:20 ------- 9/84 GFN0-xTB FAIL 1.19s (exit status 2) --- command --- 05:38:08 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 0 --strict --norestart --namespace test4 --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fdca314bf in ??? #1 0x3fdca31dd3 in ??? #2 0x3fdca32093 in ??? #3 0x3fdcaf50fd in ??? #4 0x2ad09cc9d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2ad0a8013d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2ad09aa9a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2ad09aa9a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2ad09aa9a1 in main at ../src/prog/primary.f90:20 ------- 10/84 GFN1-xTB FAIL 1.16s (exit status 2) --- command --- 05:38:08 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 1 --strict --norestart --namespace test5 --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3fc76184bf in ??? #1 0x3fc7618dd3 in ??? #2 0x3fc7619093 in ??? #3 0x3fc76dc0fd in ??? #4 0x2ad5c7a9d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2ad5d2e13d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2ad5c589a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2ad5c589a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2ad5c589a1 in main at ../src/prog/primary.f90:20 ------- 11/84 GFN2-xTB/GBSA FAIL 1.09s (exit status 2) --- command --- 05:38:09 PYTHONPATH='/builddir/build/BUILD/xtb-6.3.1/python' XTBPATH='/builddir/build/BUILD/xtb-6.3.1' LD_LIBRARY_PATH='/builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu' /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/xtb --coffee --gfn 2 --strict --gbsa h2o --norestart --namespace test6 --- stderr --- Fortran runtime error: Zero-length string passed as value to get_environment_variable. Error termination. Backtrace: #0 0x3febd904bf in ??? #1 0x3febd90dd3 in ??? #2 0x3febd91093 in ??? #3 0x3febe540fd in ??? #4 0x2ab4d659d9 in __xtb_mctc_systools_MOD_rdvar at ../src/mctc/mctc_systools.f90:152 #5 0x2ab4e1913d in __xtb_type_environment_MOD_initenvironment.constprop.0 at ../src/type/environment.f90:173 #6 0x2ab4d439a1 in mctc_init_ at ../src/mctc/mctc_init.f90:57 #7 0x2ab4d439a1 in xtb_prog_primary at ../src/prog/primary.f90:40 #8 0x2ab4d439a1 in main at ../src/prog/primary.f90:20 ------- Full log written to /builddir/build/BUILD/xtb-6.3.1/riscv64-redhat-linux-gnu/meson-logs/testlog.txt RPM build errors: error: Bad exit status from /var/tmp/rpm-tmp.WVzFiB (%check) Bad exit status from /var/tmp/rpm-tmp.WVzFiB (%check) Child return code was: 1 EXCEPTION: [Error()] Traceback (most recent call last): File "/usr/lib/python3.8/site-packages/mockbuild/trace_decorator.py", line 95, in trace result = func(*args, **kw) File "/usr/lib/python3.8/site-packages/mockbuild/util.py", line 746, in do_with_status raise exception.Error("Command failed: \n # %s\n%s" % (command, output), child.returncode) mockbuild.exception.Error: Command failed: # bash --login -c /usr/bin/rpmbuild -bb --target riscv64 --nodeps /builddir/build/SPECS/xtb.spec