Diff of the two buildlogs: -- --- b1/build.log 2024-05-13 10:33:23.608383276 +0000 +++ b2/build.log 2024-05-13 10:35:41.850502990 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun May 12 22:25:20 -12 2024 -I: pbuilder-time-stamp: 1715595920 +I: Current time: Mon Jun 16 06:56:27 +14 2025 +I: pbuilder-time-stamp: 1750006587 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -30,52 +30,84 @@ dpkg-source: info: applying disable_failing_tests.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/362945/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/D01_modify_environment starting +debug: Running on ionos15-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Jun 15 16:56 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='48f095b8ff4a4a0da53a35c7d513db13' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='362945' - PS1='# ' - PS2='> ' + INVOCATION_ID=54db47215a9f42308035fea170cd0a46 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=1065940 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.0GPoFYMi/pbuilderrc_BbcU --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.0GPoFYMi/b1 --logfile b1/build.log mopac_22.1.1-2.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.0GPoFYMi/pbuilderrc_8LdI --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.0GPoFYMi/b2 --logfile b2/build.log mopac_22.1.1-2.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos1-amd64 6.1.0-21-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.90-1 (2024-05-03) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.6.13+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.6.13-1~bpo12+1 (2024-02-15) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 11 11:25 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/362945/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Jun 14 18:01 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -201,7 +233,7 @@ Get: 76 http://deb.debian.org/debian trixie/main amd64 liblapack-dev amd64 3.12.0-3 [4880 kB] Get: 77 http://deb.debian.org/debian trixie/main amd64 python3-pkg-resources all 68.1.2-2 [241 kB] Get: 78 http://deb.debian.org/debian trixie/main amd64 python3-numpy amd64 1:1.26.4+ds-8 [5466 kB] -Fetched 67.1 MB in 6s (10.6 MB/s) +Fetched 67.1 MB in 3s (25.0 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libpython3.11-minimal:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19699 files and directories currently installed.) @@ -471,8 +503,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Mon May 13 10:27:35 UTC 2024. -Universal Time is now: Mon May 13 10:27:35 UTC 2024. +Local time is now: Sun Jun 15 16:57:23 UTC 2025. +Universal Time is now: Sun Jun 15 16:57:23 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -551,7 +583,11 @@ fakeroot is already the newest version (1.33-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/mopac-22.1.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../mopac_22.1.1-2_source.changes +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/mopac-22.1.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../mopac_22.1.1-2_source.changes dpkg-buildpackage: info: source package mopac dpkg-buildpackage: info: source version 22.1.1-2 dpkg-buildpackage: info: source distribution unstable @@ -601,8 +637,8 @@ -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Found Python3: /usr/bin/python3 (found version "3.11.9") found components: Interpreter --- Configuring done (12.0s) --- Generating done (0.3s) +-- Configuring done (2.5s) +-- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -613,7 +649,7 @@ -- Build files have been written to: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu dh_auto_build - cd obj-x86_64-linux-gnu && make -j20 VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j42 VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/mopac-22.1.1 -B/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -627,269 +663,269 @@ cd /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". Scanning dependencies of target mopac-makpol make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/build make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' -Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". -Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". -[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o -[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o -[ 1%] Building Fortran object 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CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod common_sizes.mod CMakeFiles/mopac-makpol.dir/common_sizes.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod common_keywrd.mod CMakeFiles/mopac-makpol.dir/common_keywrd.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod mod_atomradii.mod CMakeFiles/mopac-makpol.dir/mod_atomradii.mod.stamp GNU Scanning dependencies of target mopac-core make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o.provides.build -/usr/bin/cmake -E touch 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CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/epseta.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o -[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o.provides.build +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/fock1_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o.provides.build +[ 13%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-22.1.1/src/makpol/cell.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/geout.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/haddon.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/getsym.F90.o +[ 14%] Building Fortran object 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Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-22.1.1/src/makpol/geout.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/geout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/fock1.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-22.1.1/src/makpol/getpdb.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/copyc6.F90 -o CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o -[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o -[ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-22.1.1/src/makpol/gettxt.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/gettxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/xyzcry.F90 -o CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-22.1.1/src/makpol/haddon.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/haddon.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri0.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o -[ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o -[ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o.provides.build +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/standard.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection 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CMakeFiles/mopac-core.dir/src/input/digit.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/maksym.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-22.1.1/src/makpol/standard.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/standard.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/dang.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/digit.F90 -o CMakeFiles/mopac-core.dir/src/input/digit.F90.o -[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/digit.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/maklay.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deri21.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/makpol.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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-fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/myword.F90 -o CMakeFiles/mopac-core.dir/src/input/myword.F90.o -[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/myword.F90 -o CMakeFiles/mopac-core.dir/src/input/myword.F90.o +[ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 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object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/helect.F90 -o CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/coe.F90 -o CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/schmib.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o +[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/linpack.F90 -o CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/densit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o -[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o -[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/density_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/coe.F90 -o CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" 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CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mxmt.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o +[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mat33.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mxv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o +[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mult_symm_AB.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o +[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mxv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o [ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o -[ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o +[ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o +[ 25%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o [ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/dot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o [ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o +[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/dot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o +[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/minv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/mamult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mamult.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/osinv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/aabacd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/ddiag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/diagi.F90 -o CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/xxx.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/optimization/exchng.F90 -o CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/output/xxx.F90 -o CMakeFiles/mopac-core.dir/src/output/xxx.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/potentials/genun.F90 -o CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/xxx.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/quadr.F90 -o CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o +[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/rotmol.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod common_arrays_c.mod CMakeFiles/mopac-core.dir/common_arrays_c.mod.stamp GNU 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CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/molkst_C.F90.o.provides.build -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM7_TS_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod molmec_c.mod CMakeFiles/mopac-core.dir/molmec_c.mod.stamp GNU -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM7_C.F90 -o 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CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/integral.F90 -o CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/rci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong 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Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/mbonds.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/mbonds.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fillij.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/fillij.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fillij.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/check.F90.o +[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/setupk.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/add_more_interactions.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/chrge_for_MOZYME.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/isitsc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/check.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/check.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hbonds.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/hbonds.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hbonds.F90.o -[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/buildf.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o -[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/add_more_interactions.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/add_more_interactions.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/add_more_interactions.F90.o -[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/isitsc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 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35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/bonds_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o -[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/prtlmo.F90.o +[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o +[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o +[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/prtlmo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/density_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o -[ 35%] Linking Fortran executable mopac-makpol -/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-makpol.dir/link.txt --verbose=1 -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/addhb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/addhb.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/addhb.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection "CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/geout.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o" 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CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/bonds_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o +[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o +[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/helecz.F90.o +[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o +[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/hybrid.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o -[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o +[ 33%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/tidy.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/makvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/diagg2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/selmos.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/mlmo.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o -[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o -[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/diagg2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/convert_storage.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o -[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/outer1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o -[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/diagg1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o -[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/adjvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o +[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o +[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/diagg1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/MOZYME_eigs.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o +[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o +[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/getpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/partab.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o -[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/extract_parameter.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/pardip.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o -[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/extract_parameter.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/psort.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o -[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/rapid0.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o -[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/rapid1.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/rapid3.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/resetp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o +[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/getmol.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/datinp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/direct.F90.o +[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/direct.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/rapid3.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/direct.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/direct.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/datinp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/parkey.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/rapid2.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/parfg.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/optgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/pparsav.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/finish.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o -[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/depfn.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o -[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/savgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/savgeo.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/parips.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o -[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/empire.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/pargeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/chkpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/empire.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o +[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/parips.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o +[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/PARAM/chkpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/cnvg.F90 -o CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/resolv.F90 -o CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/fock2.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/swap.F90 -o CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/local.F90.o -[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/pulay.F90 -o CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/local.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/local.F90 -o CMakeFiles/mopac-core.dir/src/SCF/local.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/capcor.F90 -o CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/iter.F90 -o CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/SCF/pulay.F90 -o CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/findn1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/atomrs.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/reseq.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/names.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/lewis.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/lewis.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/lewis.F90.o -[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/lyse.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/lyse.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/lyse.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/lyse.F90.o -[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/lewis.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/lewis.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/lewis.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/geochk_bits_2.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o -[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/greek.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o -[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/txtype.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/add_hydrogen_atoms.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/chklew.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/nxtmer.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/geochk_bits_1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/ligand.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o -[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/chkion.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o -[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/nxtmer.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/geochk.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk.F90.o -[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o +[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/chkion.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o +[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/dftd3_bits.F90 -o CMakeFiles/mopac-core.dir/src/corrections/dftd3_bits.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/PDB3.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/PDB3.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/ligand.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/ligand.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/dftd3.F90 -o CMakeFiles/mopac-core.dir/src/corrections/dftd3.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EH_plus.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EH_plus.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bond_correction_EH_plus.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EH_plus.F90.o -[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_bits.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bond_correction_bits.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_bits.F90.o -[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EC_plus_ER.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_EC_plus_ER.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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-fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bond_correction_PM6_DH_type.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/post_scf_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o -[ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o +[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong 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CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/jcarin.F90 -o CMakeFiles/mopac-core.dir/src/forces/jcarin.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dcart.F90 -o CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o +[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" 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CMakeFiles/mopac-core.dir/src/forces/anavib.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dhcore.F90 -o CMakeFiles/mopac-core.dir/src/forces/dhcore.F90.o +[ 53%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/intfc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/anavib.F90 -o CMakeFiles/mopac-core.dir/src/forces/anavib.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/intfc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. 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-g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/fmat.F90 -o CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o -[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/frame.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/frame.F90 -o CMakeFiles/mopac-core.dir/src/forces/frame.F90.o -[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o +[ 54%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dijkl1.F90 -o CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/dernvo.F90 -o CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/forces/deritr.F90 -o CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o -[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/gmetry.F90 -o CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o -[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/xyzint.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/xyzint.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/xyzint.F90 -o CMakeFiles/mopac-core.dir/src/geometry/xyzint.F90.o -[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/bangle.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/bangle.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/bangle.F90 -o CMakeFiles/mopac-core.dir/src/geometry/bangle.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/symtry.F90 -o CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/dihed.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/axis.F90 -o CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o -[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getsym.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getsym.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/getsym.F90 -o CMakeFiles/mopac-core.dir/src/input/getsym.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/readmo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/geometry/dihed.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/wrt_diffs.F90 -o CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o +[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/readmo.F90.o +[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/readmo.F90 -o CMakeFiles/mopac-core.dir/src/input/readmo.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o +[ 59%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeg.F90.o +[ 58%] Building Fortran object 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CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/wrt_diffs.F90 -o CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o -[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/input/getpdb.F90 -o CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o -[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/datin.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. 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Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/ccrep.F90.o +[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/ccrep.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/ccrep.F90 -o CMakeFiles/mopac-core.dir/src/integrals/ccrep.F90.o -[ 66%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/hcore.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/hcore.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/hcore.F90 -o CMakeFiles/mopac-core.dir/src/integrals/hcore.F90.o -[ 66%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/rotate.F90.o -[ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/bfn.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/h1elec.F90 -o CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/rotate.F90.o +[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/bfn.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/rotate.F90 -o CMakeFiles/mopac-core.dir/src/integrals/rotate.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/bfn.F90 -o CMakeFiles/mopac-core.dir/src/integrals/bfn.F90.o -[ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/mndod.F90.o +[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/mndod.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/mndod.F90 -o CMakeFiles/mopac-core.dir/src/integrals/mndod.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/sp_two_electron.F90.o +[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/sp_two_electron.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/sp_two_electron.F90 -o CMakeFiles/mopac-core.dir/src/integrals/sp_two_electron.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/solrot.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/integrals/solrot.F90 -o CMakeFiles/mopac-core.dir/src/integrals/solrot.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_gui.F90.o +[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_gui.F90.o +[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_version.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/interface/mopac_gui.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_gui.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_version.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/interface/mopac_version.F90 -o 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+[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/interp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/interp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/interp.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/diag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o +[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/molval.F90 -o CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o -[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o +[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/eigenvectors_LAPACK.F90 -o CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o +[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 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-DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/perm.F90 -o CMakeFiles/mopac-core.dir/src/meci/perm.F90.o -[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ijkl.F90.o -[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o +[ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o +[ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/aabbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" 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-DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_mndo.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o +[ 70%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/refer.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/meci/mecih.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/refer.F90 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Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o +[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_pm3.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o -[ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_am1.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o -[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/update.F90.o +[ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/update.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/update.F90 -o CMakeFiles/mopac-core.dir/src/models/update.F90.o -[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/nllsq.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/optimization/nllsq.F90 -o CMakeFiles/mopac-core.dir/src/optimization/nllsq.F90.o -[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/flepo.F90.o +[ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/alpb_and_xfac_am1.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o +[ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/flepo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/optimization/flepo.F90 -o CMakeFiles/mopac-core.dir/src/optimization/flepo.F90.o -[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/linmin.F90.o +[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/nllsq.F90.o 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-Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection "CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/geout.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/getsym.F90.o" 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CMakeFiles/mopac-core.dir/src/optimization/lbfgs.F90.o -[ 78%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/superd.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/optimization/parsav.F90 -o CMakeFiles/mopac-core.dir/src/optimization/parsav.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/optimization/dfpsav.F90 -o CMakeFiles/mopac-core.dir/src/optimization/dfpsav.F90.o +make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/superd.F90.o /usr/bin/f95 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-fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/properties/polar.F90 -o CMakeFiles/mopac-core.dir/src/properties/polar.F90.o -[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/dimens.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/properties/dimens.F90 -o CMakeFiles/mopac-core.dir/src/properties/dimens.F90.o -[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/mpcsyb.F90.o +[ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/mpcsyb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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-ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/properties/static_polarizability.F90 -o CMakeFiles/mopac-core.dir/src/properties/static_polarizability.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/properties/chrge.F90 -o CMakeFiles/mopac-core.dir/src/properties/chrge.F90.o -[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/pathk.F90 -o CMakeFiles/mopac-core.dir/src/reactions/pathk.F90.o -[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o +[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/react1.F90 -o CMakeFiles/mopac-core.dir/src/reactions/react1.F90.o -[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/paths.F90.o +[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/paths.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/paths.F90 -o CMakeFiles/mopac-core.dir/src/reactions/paths.F90.o -[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o +[ 84%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/write_trajectory.F90 -o CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o -[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/grid.F90 -o CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o -[ 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CMakeFiles/mopac-core.dir/src/reactions/ef.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/grid.F90 -o CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o +[ 86%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/drcout.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drcout.F90.o -[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 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-fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/big_swap.F90 -o CMakeFiles/mopac-core.dir/src/reactions/big_swap.F90.o -[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o +[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/reactions/prtdrc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/prtdrc.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symh.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/big_swap.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/solvation/cosmo.F90 -o CMakeFiles/mopac-core.dir/src/solvation/cosmo.F90.o -[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtrans.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symh.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symh.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o +[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/bldsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/bldsym.F90.o +[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/mult33.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/molsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o +[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symtrz.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o +[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/molsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o +[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o +[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/sympop.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/dtran2.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/dtran2.F90.o +[ 90%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symoir.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symoir.F90.o -[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/symr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symr.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/maksym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o +[ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/vecprt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/wrttxt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o -[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/timer.F90 -o CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/ijbo.F90 -o CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o.provides.build -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/prtgra.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/ijbo.F90 -o CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_C.F90.o.provides.build +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/prtgra.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/PARAM/Param_global_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/SCF/iter_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chanel_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/atomradii_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/conref_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/orient_water.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/funcon_C.F90.o.provides.build +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/chemistry/orient_water.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/integrals/mndod_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/corrections/H_bonds4.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/journal_references_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_Sparkles_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_INDO_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_C.F90.o.provides.build +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_Sparkles_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_c.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_org_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_org_c.mod.stamp GNU +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_Sparkles_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_Sparkles_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_ts_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_ts_c.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm8_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm8_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o.provides.build +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM7_TS_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/parameters_for_PM8_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_Sparkles_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_mndod_C.F90.o.provides.build @@ -1497,53 +1520,66 @@ /usr/bin/cmake -E cmake_copy_f90_mod afmm_c.mod CMakeFiles/mopac-core.dir/afmm_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/symmetry/charst.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o +[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o -[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o +[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/run_mopac.F90 -o CMakeFiles/mopac-core.dir/src/run_mopac.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o -[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/moldat.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/moldat.F90 -o CMakeFiles/mopac-core.dir/src/moldat.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o.provides.build -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o.provides.build -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o.provides.build +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/rci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o +[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/cosci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/cosci.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod radii_c.mod CMakeFiles/mopac-core.dir/radii_c.mod.stamp GNU +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fillij.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/ci.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/fillij.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fillij.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/INDO/ci.F90 -o CMakeFiles/mopac-core.dir/src/INDO/ci.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod radii_c.mod CMakeFiles/mopac-core.dir/radii_c.mod.stamp GNU [ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/solvation/linear_cosmo.F90 -o CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod orient_water_c.mod CMakeFiles/mopac-core.dir/orient_water_c.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod saxpy_i.mod CMakeFiles/mopac-core.dir/saxpy_i.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod scopy_i.mod CMakeFiles/mopac-core.dir/scopy_i.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod get_det.mod CMakeFiles/mopac-core.dir/get_det.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod orient_water_c.mod CMakeFiles/mopac-core.dir/orient_water_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod cosmo_mini.mod CMakeFiles/mopac-core.dir/cosmo_mini.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod linear_cosmo.mod CMakeFiles/mopac-core.dir/linear_cosmo.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o [ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o [ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/iter_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o -[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/output/prtpka.F90 -o CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_org_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_org_c.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_ts_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_ts_c.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm8_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm8_c.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o.provides.build +[ 99%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"22.1.1\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o [ 99%] Linking Fortran static library libmopac.a /usr/bin/cmake -P CMakeFiles/mopac-core.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-core.dir/link.txt --verbose=1 @@ -1552,45 +1588,45 @@ make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' [ 99%] Built target mopac-core make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/depend +make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' cd /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color=" -make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' cd /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color=" +Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". -Scanning dependencies of target mopac -make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build -make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' -Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". Dependee "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Scanning dependencies of target mopac Scanning dependencies of target mopac-param make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' [ 99%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o [ 99%] Building Fortran object CMakeFiles/mopac.dir/src/mopac.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-22.1.1/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o +[ 99%] Linking Fortran executable mopac +/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1 +/usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so [100%] Linking Fortran executable mopac-param /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-param.dir/link.txt --verbose=1 -[100%] Linking Fortran executable mopac /usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection "CMakeFiles/mopac-param.dir/src/param.F90.o" -o mopac-param -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -fopenmp -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-22.1.1=. -fstack-protector-strong -fstack-clash-protection -fcf-protection CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' -[100%] Built target mopac-param make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' [100%] Built target mopac +make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +[100%] Built target mopac-param make[2]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' dh_auto_test - cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20 + cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42 make[1]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j20 +/usr/bin/ctest --force-new-ctest-process --verbose -j42 UpdateCTestConfiguration from :/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu @@ -1720,576 +1756,96 @@ 29: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "1.0" "erratic3.mop" 29: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests 29: Test timeout computed to be: 10000000 -13: Sun May 12 22:29:41 2024 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully -8: Sun May 12 22:29:41 2024 Job: 'Check_that_TERs_are_preserved' started successfully -23: Sun May 12 22:29:41 2024 Job: 'IONIZE' started successfully -1: Sun May 12 22:29:41 2024 Job: 'port' started successfully -8: -8: -8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on May 12, 2024, at 22:29. -8: -2: Sun May 12 22:29:41 2024 Job: 'Crambin_1SCF' started successfully -9: Sun May 12 22:29:41 2024 Job: 'Compare_two_protein_structures' started successfully -28: Sun May 12 22:29:41 2024 Job: 'erratic2' started successfully -14: Sun May 12 22:29:41 2024 Job: 'Au_Add-H' started successfully -10: Sun May 12 22:29:41 2024 Job: 'PDB1CBN.ent' started successfully -12: Sun May 12 22:29:41 2024 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully -7: Sun May 12 22:29:41 2024 Job: 'convert_an_un-edited_PDB_file' started successfully -6: Sun May 12 22:29:41 2024 Job: 'convert_an_edited_PDB_file' started successfully -9: -9: -9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on May 12, 2024, at 22:29. -9: -7: -7: -7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on May 12, 2024, at 22:29. -7: -4: Sun May 12 22:29:41 2024 Job: 'Test_XENO' started successfully -6: -6: -6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on May 12, 2024, at 22:29. -6: -4: -4: -4: MOPAC Job: "Test_XENO.mop" ended normally on May 12, 2024, at 22:29. -4: -5: Sun May 12 22:29:42 2024 Job: 'Test_Hetero_group' started successfully - 1/123 Test #9: compare_proteins ................. Passed 1.06 sec test 30 Start 30: ag20 30: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "ag20.mop" 30: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 30: Test timeout computed to be: 10000000 -29: -29: -29: MOPAC Job: "erratic3.mop" ended normally on May 12, 2024, at 22:29. -29: -10: -10: -10: MOPAC Job: "PDB1CBN.ent" ended normally on May 12, 2024, at 22:29. -10: -25: -25: -25: MOPAC Job: "SALT_2.mop" ended normally on May 12, 2024, at 22:29. -25: -5: -5: -5: MOPAC Job: "Test_Hetero_group.mop" ended normally on May 12, 2024, at 22:29. -5: -11: Sun May 12 22:29:42 2024 Job: 'PDB1EJG.ent' started successfully - 2/123 Test #7: convert_unedited_pdb ............. Passed 1.27 sec test 31 Start 31: ag20_cis_active 31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "ag20_cis_active.mop" 31: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 31: Test timeout computed to be: 10000000 - 3/123 Test #8: ters_preserved ................... Passed 1.32 sec test 32 Start 32: benzene 32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "benzene.mop" 32: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 32: Test timeout computed to be: 10000000 - 4/123 Test #29: erratic-3 ........................ Passed 1.18 sec test 33 Start 33: co_cas 33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cas.mop" 33: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 33: Test timeout computed to be: 10000000 -6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-22.1.1/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-22.1.1/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-22.1.1/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 5/123 Test #25: salt2 ............................ Passed 1.47 sec test 34 Start 34: co_cis 34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis.mop" 34: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 34: Test timeout computed to be: 10000000 -11: -11: -11: MOPAC Job: "PDB1EJG.ent" ended normally on May 12, 2024, at 22:29. -11: - 6/123 Test #6: convert_edited_pdb ............... Passed 1.73 sec test 35 Start 35: co_cis_2 35: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_2.mop" 35: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 35: Test timeout computed to be: 10000000 - 7/123 Test #4: xeno ............................. Passed 1.83 sec test 36 Start 36: co_cis_PM7 36: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_PM7.mop" 36: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 36: Test timeout computed to be: 10000000 -14: -14: -14: MOPAC Job: "Au_Add-H.mop" ended normally on May 12, 2024, at 22:29. -14: -23: -23: -23: MOPAC Job: "IONIZE.mop" ended normally on May 12, 2024, at 22:29. -23: -33: -33: -33: MOPAC Job: "co_cas.mop" ended normally on May 12, 2024, at 22:29. -33: -34: -34: -34: MOPAC Job: "co_cis.mop" ended normally on May 12, 2024, at 22:29. -34: - 8/123 Test #5: hetero_group ..................... Passed 2.18 sec test 37 Start 37: co_cis_active 37: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_active.mop" 37: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 37: Test timeout computed to be: 10000000 - 9/123 Test #23: ionize ........................... Passed 2.31 sec -test 24 - Start 24: salt - -24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SALT.mop" -24: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -24: Test timeout computed to be: 10000000 -35: -35: -35: MOPAC Job: "co_cis_2.mop" ended normally on May 12, 2024, at 22:29. -35: - 10/123 Test #34: co_cis ........................... Passed 0.76 sec -test 26 - Start 26: residues - -26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" -26: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -26: Test timeout computed to be: 10000000 - 11/123 Test #33: co_cas ........................... Passed 1.03 sec test 38 Start 38: co_cis_solv 38: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_solv.mop" 38: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 38: Test timeout computed to be: 10000000 -36: -36: -36: MOPAC Job: "co_cis_PM7.mop" ended normally on May 12, 2024, at 22:29. -36: - 12/123 Test #10: pdb1cbn .......................... Passed 2.65 sec test 39 Start 39: co_cis_tdip 39: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_tdip.mop" 39: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 39: Test timeout computed to be: 10000000 - 13/123 Test #35: co_cis_2 ......................... Passed 0.88 sec test 40 Start 40: co_cis_trip 40: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_trip.mop" 40: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 40: Test timeout computed to be: 10000000 -36: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -36: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -13: -13: -13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on May 12, 2024, at 22:29. -13: - 14/123 Test #36: co_cis_PM7 ....................... Passed 1.03 sec test 41 Start 41: co_cis_wrtconf 41: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_wrtconf.mop" 41: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 41: Test timeout computed to be: 10000000 -37: -37: -37: MOPAC Job: "co_cis_active.mop" ended normally on May 12, 2024, at 22:29. -37: -22: -22: -22: MOPAC Job: "Locate_TS.mop" ended normally on May 12, 2024, at 22:29. -22: - 15/123 Test #37: co_cis_active .................... Passed 1.05 sec test 42 Start 42: co_cisd 42: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd.mop" 42: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 42: Test timeout computed to be: 10000000 -32: -32: -32: MOPAC Job: "benzene.mop" ended normally on May 12, 2024, at 22:29. -32: -14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.09257502 on reference line 2040 in /build/reproducible-path/mopac-22.1.1/tests and -25.4087177 on output line 2040 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.65231367 on reference line 2040 in /build/reproducible-path/mopac-22.1.1/tests and 4.93343674 on output line 2040 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.98509769 on reference line 2040 in /build/reproducible-path/mopac-22.1.1/tests and -1.51193826 on output line 2040 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.23484618 on reference line 2181 in /build/reproducible-path/mopac-22.1.1/tests and -20.38719751 on output line 2181 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.47536281 on reference line 2181 in /build/reproducible-path/mopac-22.1.1/tests and 1.34688967 on output line 2181 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.85948844 on reference line 2181 in /build/reproducible-path/mopac-22.1.1/tests and -2.14176648 on output line 2181 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.65377643 on reference line 2182 in /build/reproducible-path/mopac-22.1.1/tests and -21.61238342 on output line 2182 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.96060373 on reference line 2182 in /build/reproducible-path/mopac-22.1.1/tests and 2.60991373 on output line 2182 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.34959202 on reference line 2182 in /build/reproducible-path/mopac-22.1.1/tests and -1.98400172 on output line 2182 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.16154718 on reference line 2229 in /build/reproducible-path/mopac-22.1.1/tests and -25.08960339 on output line 2229 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.45255965 on reference line 2229 in /build/reproducible-path/mopac-22.1.1/tests and -3.0319964 on output line 2229 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.61895174 on reference line 2229 in /build/reproducible-path/mopac-22.1.1/tests and -5.72910324 on output line 2229 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.24956665 on reference line 2230 in /build/reproducible-path/mopac-22.1.1/tests and -25.72051406 on output line 2230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.58763738 on reference line 2230 in /build/reproducible-path/mopac-22.1.1/tests and -4.27751575 on output line 2230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.39364956 on reference line 2230 in /build/reproducible-path/mopac-22.1.1/tests and -4.64659076 on output line 2230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.05572927 on reference line 2275 in /build/reproducible-path/mopac-22.1.1/tests and -24.39513201 on output line 2275 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.41464752 on reference line 2275 in /build/reproducible-path/mopac-22.1.1/tests and -5.63914024 on output line 2275 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.19811683 on reference line 2275 in /build/reproducible-path/mopac-22.1.1/tests and -19.39727313 on output line 2275 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.31153851 on reference line 2276 in /build/reproducible-path/mopac-22.1.1/tests and -24.57380567 on output line 2276 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.18822066 on reference line 2276 in /build/reproducible-path/mopac-22.1.1/tests and -3.89366359 on output line 2276 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.7437518 on reference line 2276 in /build/reproducible-path/mopac-22.1.1/tests and -19.60363926 on output line 2276 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.331051 on reference line 2326 in /build/reproducible-path/mopac-22.1.1/tests and -12.377982 on output line 2326 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.29196958 on reference line 2326 in /build/reproducible-path/mopac-22.1.1/tests and -5.73598579 on output line 2326 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.19306446 on reference line 2326 in /build/reproducible-path/mopac-22.1.1/tests and -2.35890936 on output line 2326 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.93062705 on reference line 2327 in /build/reproducible-path/mopac-22.1.1/tests and -13.94066495 on output line 2327 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.89968481 on reference line 2327 in /build/reproducible-path/mopac-22.1.1/tests and -6.40711238 on output line 2327 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.67862425 on reference line 2327 in /build/reproducible-path/mopac-22.1.1/tests and -1.8805673 on output line 2327 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.66389204 on reference line 2343 in /build/reproducible-path/mopac-22.1.1/tests and -9.97920164 on output line 2343 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.02768212 on reference line 2343 in /build/reproducible-path/mopac-22.1.1/tests and -1.31268472 on output line 2343 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.76583614 on reference line 2343 in /build/reproducible-path/mopac-22.1.1/tests and -7.86780791 on output line 2343 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.48082798 on reference line 2344 in /build/reproducible-path/mopac-22.1.1/tests and -8.77019671 on output line 2344 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.75211034 on reference line 2344 in /build/reproducible-path/mopac-22.1.1/tests and -0.26571122 on output line 2344 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.87374319 on reference line 2344 in /build/reproducible-path/mopac-22.1.1/tests and -8.61837674 on output line 2344 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.37912209 on reference line 2751 in /build/reproducible-path/mopac-22.1.1/tests and -19.37958664 on output line 2751 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.47728207 on reference line 2751 in /build/reproducible-path/mopac-22.1.1/tests and 3.47704734 on output line 2751 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.08015931 on reference line 2752 in /build/reproducible-path/mopac-22.1.1/tests and -19.0372573 on output line 2752 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.49485343 on reference line 2752 in /build/reproducible-path/mopac-22.1.1/tests and 4.48530839 on output line 2752 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.49596535 on reference line 2752 in /build/reproducible-path/mopac-22.1.1/tests and -0.49870483 on output line 2752 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.54423923 on reference line 2754 in /build/reproducible-path/mopac-22.1.1/tests and -0.54493099 on output line 2754 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.62568807 on reference line 2754 in /build/reproducible-path/mopac-22.1.1/tests and -1.62535547 on output line 2754 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.78786999 on reference line 2755 in /build/reproducible-path/mopac-22.1.1/tests and -18.78736122 on output line 2755 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.29726479 on reference line 2755 in /build/reproducible-path/mopac-22.1.1/tests and 0.29823915 on output line 2755 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.49623479 on reference line 2755 in /build/reproducible-path/mopac-22.1.1/tests and -0.49709518 on output line 2755 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -23.81540101 on reference line 2757 in /build/reproducible-path/mopac-22.1.1/tests and -23.81586062 on output line 2757 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.25990727 on reference line 2757 in /build/reproducible-path/mopac-22.1.1/tests and -1.26113416 on output line 2757 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.13784997 on reference line 2757 in /build/reproducible-path/mopac-22.1.1/tests and -7.13973706 on output line 2757 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.26717581 on reference line 2758 in /build/reproducible-path/mopac-22.1.1/tests and -25.24114752 on output line 2758 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.83209905 on reference line 2758 in /build/reproducible-path/mopac-22.1.1/tests and -0.82622752 on output line 2758 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.19924329 on reference line 2758 in /build/reproducible-path/mopac-22.1.1/tests and -6.1841076 on output line 2758 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.58771229 on reference line 2760 in /build/reproducible-path/mopac-22.1.1/tests and -26.5869777 on output line 2760 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.16641494 on reference line 2760 in /build/reproducible-path/mopac-22.1.1/tests and 4.16626739 on output line 2760 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.3507815 on reference line 2760 in /build/reproducible-path/mopac-22.1.1/tests and -5.35016162 on output line 2760 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.88168025 on reference line 2761 in /build/reproducible-path/mopac-22.1.1/tests and -27.17146498 on output line 2761 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.25771035 on reference line 2761 in /build/reproducible-path/mopac-22.1.1/tests and 5.36654057 on output line 2761 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.9762945 on reference line 2761 in /build/reproducible-path/mopac-22.1.1/tests and -4.09317958 on output line 2761 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.31543028 on reference line 2763 in /build/reproducible-path/mopac-22.1.1/tests and -20.31508536 on output line 2763 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.2425775 on reference line 2763 in /build/reproducible-path/mopac-22.1.1/tests and 8.24284884 on output line 2763 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.51021032 on reference line 2763 in /build/reproducible-path/mopac-22.1.1/tests and -2.51099029 on output line 2763 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.82835999 on reference line 2764 in /build/reproducible-path/mopac-22.1.1/tests and -19.82422148 on output line 2764 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.73371572 on reference line 2764 in /build/reproducible-path/mopac-22.1.1/tests and 8.71896099 on output line 2764 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.07641659 on reference line 2764 in /build/reproducible-path/mopac-22.1.1/tests and -1.0753839 on output line 2764 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.63705715 on reference line 2766 in /build/reproducible-path/mopac-22.1.1/tests and -26.63758041 on output line 2766 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.64375387 on reference line 2766 in /build/reproducible-path/mopac-22.1.1/tests and -8.64517793 on output line 2766 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.87510091 on reference line 2766 in /build/reproducible-path/mopac-22.1.1/tests and -13.87534978 on output line 2766 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.26626303 on reference line 2767 in /build/reproducible-path/mopac-22.1.1/tests and -27.23019189 on output line 2767 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.33661422 on reference line 2767 in /build/reproducible-path/mopac-22.1.1/tests and -8.28839024 on output line 2767 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.33206622 on reference line 2767 in /build/reproducible-path/mopac-22.1.1/tests and -12.33564949 on output line 2767 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.74263691 on reference line 2769 in /build/reproducible-path/mopac-22.1.1/tests and -18.74352583 on output line 2769 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.34613944 on reference line 2769 in /build/reproducible-path/mopac-22.1.1/tests and -10.346813 on output line 2769 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.56273523 on reference line 2769 in /build/reproducible-path/mopac-22.1.1/tests and -10.56292657 on output line 2769 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.23266328 on reference line 2770 in /build/reproducible-path/mopac-22.1.1/tests and -19.23335143 on output line 2770 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.21527924 on reference line 2770 in /build/reproducible-path/mopac-22.1.1/tests and -10.21508147 on output line 2770 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.94743906 on reference line 2770 in /build/reproducible-path/mopac-22.1.1/tests and -8.9480993 on output line 2770 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.41273843 on reference line 2772 in /build/reproducible-path/mopac-22.1.1/tests and -26.41248837 on output line 2772 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.2632241 on reference line 2772 in /build/reproducible-path/mopac-22.1.1/tests and -6.26416148 on output line 2772 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.90653229 on reference line 2773 in /build/reproducible-path/mopac-22.1.1/tests and -27.92363514 on output line 2773 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.87816793 on reference line 2773 in /build/reproducible-path/mopac-22.1.1/tests and -5.91353847 on output line 2773 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.45832761 on reference line 2773 in /build/reproducible-path/mopac-22.1.1/tests and -11.42786521 on output line 2773 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -28.52601312 on reference line 2775 in /build/reproducible-path/mopac-22.1.1/tests and -28.52569076 on output line 2775 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.03278692 on reference line 2775 in /build/reproducible-path/mopac-22.1.1/tests and -5.03195924 on output line 2775 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.67691671 on reference line 2775 in /build/reproducible-path/mopac-22.1.1/tests and -4.67660822 on output line 2775 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -29.15981812 on reference line 2776 in /build/reproducible-path/mopac-22.1.1/tests and -29.14484039 on output line 2776 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.32055685 on reference line 2776 in /build/reproducible-path/mopac-22.1.1/tests and -4.32455686 on output line 2776 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.33824004 on reference line 2776 in /build/reproducible-path/mopac-22.1.1/tests and -3.32785299 on output line 2776 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.99007761 on reference line 2778 in /build/reproducible-path/mopac-22.1.1/tests and -15.98972429 on output line 2778 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.65736055 on reference line 2778 in /build/reproducible-path/mopac-22.1.1/tests and -1.65704454 on output line 2778 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.05058627 on reference line 2778 in /build/reproducible-path/mopac-22.1.1/tests and -1.05040335 on output line 2778 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.14286897 on reference line 2779 in /build/reproducible-path/mopac-22.1.1/tests and -16.140887 on output line 2779 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.35269212 on reference line 2779 in /build/reproducible-path/mopac-22.1.1/tests and -1.3517963 on output line 2779 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.50763251 on reference line 2779 in /build/reproducible-path/mopac-22.1.1/tests and 0.50685057 on output line 2779 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.57246167 on reference line 2781 in /build/reproducible-path/mopac-22.1.1/tests and -12.57284798 on output line 2781 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.78891044 on reference line 2781 in /build/reproducible-path/mopac-22.1.1/tests and 9.78959553 on output line 2781 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.17854342 on reference line 2781 in /build/reproducible-path/mopac-22.1.1/tests and -4.17820695 on output line 2781 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.78483724 on reference line 2782 in /build/reproducible-path/mopac-22.1.1/tests and -13.83630278 on output line 2782 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.56477783 on reference line 2782 in /build/reproducible-path/mopac-22.1.1/tests and 10.49994546 on output line 2782 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.81627347 on reference line 2782 in /build/reproducible-path/mopac-22.1.1/tests and -4.8015436 on output line 2782 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.43240254 on reference line 2784 in /build/reproducible-path/mopac-22.1.1/tests and -24.43162763 on output line 2784 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.81875854 on reference line 2784 in /build/reproducible-path/mopac-22.1.1/tests and 0.81956961 on output line 2784 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.25421139 on reference line 2784 in /build/reproducible-path/mopac-22.1.1/tests and -4.25506995 on output line 2784 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.87006357 on reference line 2785 in /build/reproducible-path/mopac-22.1.1/tests and -25.83936761 on output line 2785 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.97210473 on reference line 2785 in /build/reproducible-path/mopac-22.1.1/tests and 1.0229756 on output line 2785 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.76891789 on reference line 2785 in /build/reproducible-path/mopac-22.1.1/tests and -4.75139431 on output line 2785 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.96927028 on reference line 2787 in /build/reproducible-path/mopac-22.1.1/tests and -12.96899572 on output line 2787 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.35640189 on reference line 2787 in /build/reproducible-path/mopac-22.1.1/tests and 10.35610665 on output line 2787 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.92773971 on reference line 2787 in /build/reproducible-path/mopac-22.1.1/tests and -1.92703459 on output line 2787 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.70659778 on reference line 2788 in /build/reproducible-path/mopac-22.1.1/tests and -13.70648981 on output line 2788 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 11.37284728 on reference line 2788 in /build/reproducible-path/mopac-22.1.1/tests and 11.37374017 on output line 2788 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.65843067 on reference line 2788 in /build/reproducible-path/mopac-22.1.1/tests and -0.65907082 on output line 2788 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.89089111 on reference line 2790 in /build/reproducible-path/mopac-22.1.1/tests and -15.89063547 on output line 2790 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.39333476 on reference line 2790 in /build/reproducible-path/mopac-22.1.1/tests and -5.39391636 on output line 2790 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.64983371 on reference line 2790 in /build/reproducible-path/mopac-22.1.1/tests and -1.6492924 on output line 2790 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.20379371 on reference line 2791 in /build/reproducible-path/mopac-22.1.1/tests and -17.21612221 on output line 2791 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.92038582 on reference line 2791 in /build/reproducible-path/mopac-22.1.1/tests and -5.92621398 on output line 2791 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.35454957 on reference line 2791 in /build/reproducible-path/mopac-22.1.1/tests and -1.36608455 on output line 2791 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.12868031 on reference line 2793 in /build/reproducible-path/mopac-22.1.1/tests and -15.85657448 on output line 2793 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.2231296 on reference line 2793 in /build/reproducible-path/mopac-22.1.1/tests and 9.06774593 on output line 2793 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.42508468 on reference line 2793 in /build/reproducible-path/mopac-22.1.1/tests and -0.30896101 on output line 2793 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.61174596 on reference line 2794 in /build/reproducible-path/mopac-22.1.1/tests and -15.71201874 on output line 2794 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.11147189 on reference line 2794 in /build/reproducible-path/mopac-22.1.1/tests and 9.08260949 on output line 2794 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.1904536 on reference line 2794 in /build/reproducible-path/mopac-22.1.1/tests and 1.28056579 on output line 2794 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.63872155 on reference line 2796 in /build/reproducible-path/mopac-22.1.1/tests and -26.63771996 on output line 2796 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 4.94394297 on reference line 2796 in /build/reproducible-path/mopac-22.1.1/tests and 4.94405047 on output line 2796 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.64025125 on reference line 2796 in /build/reproducible-path/mopac-22.1.1/tests and -10.63855556 on output line 2796 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.29716872 on reference line 2797 in /build/reproducible-path/mopac-22.1.1/tests and -27.39641461 on output line 2797 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.42799545 on reference line 2797 in /build/reproducible-path/mopac-22.1.1/tests and 5.0443906 on output line 2797 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.35039857 on reference line 2797 in /build/reproducible-path/mopac-22.1.1/tests and -9.17720324 on output line 2797 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.80096784 on reference line 2799 in /build/reproducible-path/mopac-22.1.1/tests and -25.80129853 on output line 2799 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.90314922 on reference line 2799 in /build/reproducible-path/mopac-22.1.1/tests and 1.90388881 on output line 2799 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.69591735 on reference line 2799 in /build/reproducible-path/mopac-22.1.1/tests and -5.69409617 on output line 2799 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.03882099 on reference line 2800 in /build/reproducible-path/mopac-22.1.1/tests and -27.05268549 on output line 2800 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.73641484 on reference line 2800 in /build/reproducible-path/mopac-22.1.1/tests and 2.75579152 on output line 2800 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.49823632 on reference line 2800 in /build/reproducible-path/mopac-22.1.1/tests and -5.519357 on output line 2800 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.35517002 on reference line 2802 in /build/reproducible-path/mopac-22.1.1/tests and -26.36924173 on output line 2802 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.19781955 on reference line 2802 in /build/reproducible-path/mopac-22.1.1/tests and -7.20127875 on output line 2802 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.53765266 on reference line 2802 in /build/reproducible-path/mopac-22.1.1/tests and -9.54432161 on output line 2802 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.60857866 on reference line 2803 in /build/reproducible-path/mopac-22.1.1/tests and -26.53015671 on output line 2803 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.77491802 on reference line 2803 in /build/reproducible-path/mopac-22.1.1/tests and -6.79306657 on output line 2803 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.06194087 on reference line 2803 in /build/reproducible-path/mopac-22.1.1/tests and -8.05518195 on output line 2803 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.06467931 on reference line 2805 in /build/reproducible-path/mopac-22.1.1/tests and -25.06509356 on output line 2805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.35139106 on reference line 2805 in /build/reproducible-path/mopac-22.1.1/tests and 0.34917689 on output line 2805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.07707087 on reference line 2805 in /build/reproducible-path/mopac-22.1.1/tests and -3.0790991 on output line 2805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.98678174 on reference line 2806 in /build/reproducible-path/mopac-22.1.1/tests and -26.0144229 on output line 2806 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.60192149 on reference line 2806 in /build/reproducible-path/mopac-22.1.1/tests and 0.61995651 on output line 2806 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.81489644 on reference line 2806 in /build/reproducible-path/mopac-22.1.1/tests and -1.84404272 on output line 2806 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.42603282 on reference line 2808 in /build/reproducible-path/mopac-22.1.1/tests and -11.42637517 on output line 2808 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.50245652 on reference line 2808 in /build/reproducible-path/mopac-22.1.1/tests and -6.5035041 on output line 2808 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.97642129 on reference line 2808 in /build/reproducible-path/mopac-22.1.1/tests and -4.9751341 on output line 2808 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.44511525 on reference line 2809 in /build/reproducible-path/mopac-22.1.1/tests and -12.44713535 on output line 2809 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.56269294 on reference line 2809 in /build/reproducible-path/mopac-22.1.1/tests and -7.56713161 on output line 2809 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -5.07697787 on reference line 2809 in /build/reproducible-path/mopac-22.1.1/tests and -5.08288059 on output line 2809 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.89399494 on reference line 2811 in /build/reproducible-path/mopac-22.1.1/tests and -24.89383873 on output line 2811 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.79107399 on reference line 2811 in /build/reproducible-path/mopac-22.1.1/tests and 5.79009039 on output line 2811 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.0921481 on reference line 2811 in /build/reproducible-path/mopac-22.1.1/tests and -12.09329317 on output line 2811 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.2990424 on reference line 2812 in /build/reproducible-path/mopac-22.1.1/tests and -25.33819089 on output line 2812 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.60265724 on reference line 2812 in /build/reproducible-path/mopac-22.1.1/tests and 5.60716047 on output line 2812 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.69720955 on reference line 2812 in /build/reproducible-path/mopac-22.1.1/tests and -10.70659749 on output line 2812 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.86620113 on reference line 2817 in /build/reproducible-path/mopac-22.1.1/tests and -9.86649419 on output line 2817 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.84358839 on reference line 2817 in /build/reproducible-path/mopac-22.1.1/tests and -0.84294687 on output line 2817 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.33377815 on reference line 2817 in /build/reproducible-path/mopac-22.1.1/tests and -12.33431704 on output line 2817 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.02643753 on reference line 2818 in /build/reproducible-path/mopac-22.1.1/tests and -11.02743399 on output line 2818 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.51625563 on reference line 2818 in /build/reproducible-path/mopac-22.1.1/tests and -0.51511405 on output line 2818 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.30194648 on reference line 2818 in /build/reproducible-path/mopac-22.1.1/tests and -11.30303646 on output line 2818 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -26.24973513 on reference line 2820 in /build/reproducible-path/mopac-22.1.1/tests and -26.25034932 on output line 2820 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.87894813 on reference line 2820 in /build/reproducible-path/mopac-22.1.1/tests and 9.88034354 on output line 2820 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.83580958 on reference line 2820 in /build/reproducible-path/mopac-22.1.1/tests and -7.83610679 on output line 2820 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -27.41503889 on reference line 2821 in /build/reproducible-path/mopac-22.1.1/tests and -27.4539626 on output line 2821 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.11533718 on reference line 2821 in /build/reproducible-path/mopac-22.1.1/tests and 10.14891782 on output line 2821 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.84920741 on reference line 2821 in /build/reproducible-path/mopac-22.1.1/tests and -6.89273781 on output line 2821 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.77107219 on reference line 2823 in /build/reproducible-path/mopac-22.1.1/tests and -8.77375084 on output line 2823 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.24113291 on reference line 2823 in /build/reproducible-path/mopac-22.1.1/tests and -1.23966625 on output line 2823 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.09687958 on reference line 2823 in /build/reproducible-path/mopac-22.1.1/tests and -13.09611937 on output line 2823 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.81115641 on reference line 2824 in /build/reproducible-path/mopac-22.1.1/tests and -8.80915902 on output line 2824 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.23374834 on reference line 2824 in /build/reproducible-path/mopac-22.1.1/tests and 0.23156178 on output line 2824 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.37299479 on reference line 2824 in /build/reproducible-path/mopac-22.1.1/tests and -12.3663575 on output line 2824 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.07006428 on reference line 2826 in /build/reproducible-path/mopac-22.1.1/tests and -9.07109057 on output line 2826 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.35238972 on reference line 2826 in /build/reproducible-path/mopac-22.1.1/tests and 1.35296182 on output line 2826 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.29522842 on reference line 2826 in /build/reproducible-path/mopac-22.1.1/tests and -1.29602834 on output line 2826 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.98838636 on reference line 2827 in /build/reproducible-path/mopac-22.1.1/tests and -9.98852672 on output line 2827 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.4737518 on reference line 2827 in /build/reproducible-path/mopac-22.1.1/tests and 1.47481546 on output line 2827 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.05694729 on reference line 2827 in /build/reproducible-path/mopac-22.1.1/tests and -0.05789473 on output line 2827 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.05155902 on reference line 2829 in /build/reproducible-path/mopac-22.1.1/tests and -18.05237255 on output line 2829 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.46573504 on reference line 2829 in /build/reproducible-path/mopac-22.1.1/tests and -7.4649597 on output line 2829 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.00621241 on reference line 2829 in /build/reproducible-path/mopac-22.1.1/tests and -17.00514651 on output line 2829 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.12246956 on reference line 2830 in /build/reproducible-path/mopac-22.1.1/tests and -19.11190335 on output line 2830 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.51299867 on reference line 2830 in /build/reproducible-path/mopac-22.1.1/tests and -6.51107168 on output line 2830 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.58030053 on reference line 2830 in /build/reproducible-path/mopac-22.1.1/tests and -17.55051805 on output line 2830 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.04428349 on reference line 2832 in /build/reproducible-path/mopac-22.1.1/tests and -17.04478647 on output line 2832 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.68484657 on reference line 2832 in /build/reproducible-path/mopac-22.1.1/tests and 7.68631371 on output line 2832 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.31540235 on reference line 2832 in /build/reproducible-path/mopac-22.1.1/tests and -15.31467703 on output line 2832 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.19386112 on reference line 2833 in /build/reproducible-path/mopac-22.1.1/tests and -17.18983826 on output line 2833 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.87816785 on reference line 2833 in /build/reproducible-path/mopac-22.1.1/tests and 8.88149311 on output line 2833 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.1612366 on reference line 2833 in /build/reproducible-path/mopac-22.1.1/tests and -16.16335424 on output line 2833 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.65893202 on reference line 2836 in /build/reproducible-path/mopac-22.1.1/tests and -17.63672804 on output line 2836 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.05063419 on reference line 2836 in /build/reproducible-path/mopac-22.1.1/tests and -11.10806463 on output line 2836 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.65257249 on reference line 2836 in /build/reproducible-path/mopac-22.1.1/tests and -21.63303127 on output line 2836 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.59134279 on reference line 2841 in /build/reproducible-path/mopac-22.1.1/tests and -16.41576282 on output line 2841 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.59932934 on reference line 2841 in /build/reproducible-path/mopac-22.1.1/tests and 7.51131586 on output line 2841 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.03797243 on reference line 2841 in /build/reproducible-path/mopac-22.1.1/tests and -11.75465435 on output line 2841 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.61733971 on reference line 2842 in /build/reproducible-path/mopac-22.1.1/tests and -16.46710645 on output line 2842 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 6.21751144 on reference line 2842 in /build/reproducible-path/mopac-22.1.1/tests and 5.9857306 on output line 2842 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.28343673 on reference line 2842 in /build/reproducible-path/mopac-22.1.1/tests and -11.43213905 on output line 2842 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.11203152 on reference line 2844 in /build/reproducible-path/mopac-22.1.1/tests and -24.1116519 on output line 2844 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.09756434 on reference line 2844 in /build/reproducible-path/mopac-22.1.1/tests and 3.09848229 on output line 2844 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.35503391 on reference line 2844 in /build/reproducible-path/mopac-22.1.1/tests and -13.35454503 on output line 2844 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -23.38182005 on reference line 2845 in /build/reproducible-path/mopac-22.1.1/tests and -23.38159643 on output line 2845 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.96175172 on reference line 2845 in /build/reproducible-path/mopac-22.1.1/tests and 2.96249257 on output line 2845 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.14091649 on reference line 2845 in /build/reproducible-path/mopac-22.1.1/tests and -12.14118773 on output line 2845 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.08343845 on reference line 2847 in /build/reproducible-path/mopac-22.1.1/tests and -8.98628011 on output line 2847 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -0.35974774 on reference line 2847 in /build/reproducible-path/mopac-22.1.1/tests and -0.37694342 on output line 2847 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.56959649 on reference line 2847 in /build/reproducible-path/mopac-22.1.1/tests and -16.49217402 on output line 2847 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.43196051 on reference line 2848 in /build/reproducible-path/mopac-22.1.1/tests and -9.09488606 on output line 2848 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.07397591 on reference line 2848 in /build/reproducible-path/mopac-22.1.1/tests and 1.06403549 on output line 2848 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.4553602 on reference line 2848 in /build/reproducible-path/mopac-22.1.1/tests and -17.1928977 on output line 2848 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.5469163 on reference line 2850 in /build/reproducible-path/mopac-22.1.1/tests and -8.54560377 on output line 2850 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.37271789 on reference line 2850 in /build/reproducible-path/mopac-22.1.1/tests and 2.37230166 on output line 2850 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.32067004 on reference line 2850 in /build/reproducible-path/mopac-22.1.1/tests and -8.32052798 on output line 2850 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.15868058 on reference line 2851 in /build/reproducible-path/mopac-22.1.1/tests and -8.16863774 on output line 2851 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.76995826 on reference line 2851 in /build/reproducible-path/mopac-22.1.1/tests and 3.77850659 on output line 2851 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.79460878 on reference line 2851 in /build/reproducible-path/mopac-22.1.1/tests and -8.81405455 on output line 2851 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -14.83911413 on reference line 2853 in /build/reproducible-path/mopac-22.1.1/tests and -14.89892027 on output line 2853 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.18200013 on reference line 2853 in /build/reproducible-path/mopac-22.1.1/tests and 8.41242497 on output line 2853 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.63312758 on reference line 2853 in /build/reproducible-path/mopac-22.1.1/tests and 0.95344586 on output line 2853 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -14.23499265 on reference line 2854 in /build/reproducible-path/mopac-22.1.1/tests and -13.97800205 on output line 2854 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.3170698 on reference line 2854 in /build/reproducible-path/mopac-22.1.1/tests and 7.77704175 on output line 2854 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.08761338 on reference line 2854 in /build/reproducible-path/mopac-22.1.1/tests and 2.15698904 on output line 2854 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.40964255 on reference line 2856 in /build/reproducible-path/mopac-22.1.1/tests and -10.4116109 on output line 2856 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 5.49343688 on reference line 2856 in /build/reproducible-path/mopac-22.1.1/tests and 5.49532471 on output line 2856 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.27304047 on reference line 2856 in /build/reproducible-path/mopac-22.1.1/tests and -11.27261984 on output line 2856 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.64962453 on reference line 2857 in /build/reproducible-path/mopac-22.1.1/tests and -9.6127948 on output line 2857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 6.82767825 on reference line 2857 in /build/reproducible-path/mopac-22.1.1/tests and 6.80706307 on output line 2857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.03734378 on reference line 2857 in /build/reproducible-path/mopac-22.1.1/tests and -11.03033722 on output line 2857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.06133351 on reference line 2859 in /build/reproducible-path/mopac-22.1.1/tests and -24.06461636 on output line 2859 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.50710141 on reference line 2859 in /build/reproducible-path/mopac-22.1.1/tests and 7.50991984 on output line 2859 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.91516357 on reference line 2859 in /build/reproducible-path/mopac-22.1.1/tests and -10.90972453 on output line 2859 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -23.34347313 on reference line 2860 in /build/reproducible-path/mopac-22.1.1/tests and -23.33321584 on output line 2860 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 7.35585998 on reference line 2860 in /build/reproducible-path/mopac-22.1.1/tests and 7.35687354 on output line 2860 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.53337347 on reference line 2860 in /build/reproducible-path/mopac-22.1.1/tests and -9.5315698 on output line 2860 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.88261942 on reference line 2862 in /build/reproducible-path/mopac-22.1.1/tests and -8.88163046 on output line 2862 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.09443301 on reference line 2862 in /build/reproducible-path/mopac-22.1.1/tests and 0.09582129 on output line 2862 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.29865112 on reference line 2862 in /build/reproducible-path/mopac-22.1.1/tests and -11.29876843 on output line 2862 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.10304156 on reference line 2863 in /build/reproducible-path/mopac-22.1.1/tests and -9.12445921 on output line 2863 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.24455092 on reference line 2863 in /build/reproducible-path/mopac-22.1.1/tests and 1.20276671 on output line 2863 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.93178377 on reference line 2863 in /build/reproducible-path/mopac-22.1.1/tests and -9.86601174 on output line 2863 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.58583941 on reference line 2865 in /build/reproducible-path/mopac-22.1.1/tests and -20.58553126 on output line 2865 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.98241396 on reference line 2865 in /build/reproducible-path/mopac-22.1.1/tests and -11.98220964 on output line 2865 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.88860644 on reference line 2865 in /build/reproducible-path/mopac-22.1.1/tests and -15.8899698 on output line 2865 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.46094902 on reference line 2866 in /build/reproducible-path/mopac-22.1.1/tests and -21.46266654 on output line 2866 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -13.12913775 on reference line 2866 in /build/reproducible-path/mopac-22.1.1/tests and -13.13195604 on output line 2866 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.70632327 on reference line 2866 in /build/reproducible-path/mopac-22.1.1/tests and -15.71283133 on output line 2866 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.78956207 on reference line 2868 in /build/reproducible-path/mopac-22.1.1/tests and -8.7963714 on output line 2868 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.52644938 on reference line 2868 in /build/reproducible-path/mopac-22.1.1/tests and 3.52508114 on output line 2868 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.87361516 on reference line 2868 in /build/reproducible-path/mopac-22.1.1/tests and -3.87934147 on output line 2868 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.12619804 on reference line 2869 in /build/reproducible-path/mopac-22.1.1/tests and -9.07465151 on output line 2869 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 3.85805184 on reference line 2869 in /build/reproducible-path/mopac-22.1.1/tests and 3.89634619 on output line 2869 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.42831223 on reference line 2869 in /build/reproducible-path/mopac-22.1.1/tests and -2.43284288 on output line 2869 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.51972818 on reference line 2871 in /build/reproducible-path/mopac-22.1.1/tests and -10.48265329 on output line 2871 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -6.19068571 on reference line 2871 in /build/reproducible-path/mopac-22.1.1/tests and -6.16438893 on output line 2871 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.00555327 on reference line 2871 in /build/reproducible-path/mopac-22.1.1/tests and -4.05012086 on output line 2871 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.42843253 on reference line 2872 in /build/reproducible-path/mopac-22.1.1/tests and -10.61890998 on output line 2872 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -4.93264437 on reference line 2872 in /build/reproducible-path/mopac-22.1.1/tests and -5.07527177 on output line 2872 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.11705163 on reference line 2872 in /build/reproducible-path/mopac-22.1.1/tests and -2.97112997 on output line 2872 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -24.32067401 on reference line 2874 in /build/reproducible-path/mopac-22.1.1/tests and -24.32130238 on output line 2874 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.73971629 on reference line 2874 in /build/reproducible-path/mopac-22.1.1/tests and -9.7398214 on output line 2874 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.41051384 on reference line 2874 in /build/reproducible-path/mopac-22.1.1/tests and -8.40961116 on output line 2874 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -25.67442528 on reference line 2875 in /build/reproducible-path/mopac-22.1.1/tests and -25.67124163 on output line 2875 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.13702411 on reference line 2875 in /build/reproducible-path/mopac-22.1.1/tests and -9.12877374 on output line 2875 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.36645208 on reference line 2875 in /build/reproducible-path/mopac-22.1.1/tests and -8.37120544 on output line 2875 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 0.77992589 on reference line 2877 in /build/reproducible-path/mopac-22.1.1/tests and 0.77969786 on output line 2877 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.98094798 on reference line 2878 in /build/reproducible-path/mopac-22.1.1/tests and -11.31310639 on output line 2878 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.79273272 on reference line 2878 in /build/reproducible-path/mopac-22.1.1/tests and 1.6310441 on output line 2878 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -17.89287638 on reference line 2878 in /build/reproducible-path/mopac-22.1.1/tests and -18.01124109 on output line 2878 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -12.17433054 on reference line 2880 in /build/reproducible-path/mopac-22.1.1/tests and -12.1746675 on output line 2880 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 10.38895371 on reference line 2880 in /build/reproducible-path/mopac-22.1.1/tests and 10.38912579 on output line 2880 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -3.02920522 on reference line 2880 in /build/reproducible-path/mopac-22.1.1/tests and -3.02812973 on output line 2880 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -11.44721154 on reference line 2881 in /build/reproducible-path/mopac-22.1.1/tests and -11.44043532 on output line 2881 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.72486168 on reference line 2881 in /build/reproducible-path/mopac-22.1.1/tests and 9.72938651 on output line 2881 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -1.81140233 on reference line 2881 in /build/reproducible-path/mopac-22.1.1/tests and -1.81391413 on output line 2881 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.85750604 on reference line 2883 in /build/reproducible-path/mopac-22.1.1/tests and -15.85733021 on output line 2883 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.84453175 on reference line 2883 in /build/reproducible-path/mopac-22.1.1/tests and -8.84472726 on output line 2883 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.56017065 on reference line 2883 in /build/reproducible-path/mopac-22.1.1/tests and -16.55948865 on output line 2883 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -15.63288424 on reference line 2884 in /build/reproducible-path/mopac-22.1.1/tests and -15.62669418 on output line 2884 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.26283864 on reference line 2884 in /build/reproducible-path/mopac-22.1.1/tests and -10.25935756 on output line 2884 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.21828288 on reference line 2884 in /build/reproducible-path/mopac-22.1.1/tests and -16.21271511 on output line 2884 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.00001112 on reference line 2886 in /build/reproducible-path/mopac-22.1.1/tests and -15.62089712 on output line 2886 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 8.08308776 on reference line 2886 in /build/reproducible-path/mopac-22.1.1/tests and 8.26074147 on output line 2886 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.92109193 on reference line 2886 in /build/reproducible-path/mopac-22.1.1/tests and -10.94219452 on output line 2886 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -16.64319015 on reference line 2887 in /build/reproducible-path/mopac-22.1.1/tests and -16.58717244 on output line 2887 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 9.314366 on reference line 2887 in /build/reproducible-path/mopac-22.1.1/tests and 9.18700967 on output line 2887 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -10.20224459 on reference line 2887 in /build/reproducible-path/mopac-22.1.1/tests and -10.14429206 on output line 2887 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.83323498 on reference line 2889 in /build/reproducible-path/mopac-22.1.1/tests and -8.828355 on output line 2889 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 2.47000334 on reference line 2889 in /build/reproducible-path/mopac-22.1.1/tests and 2.48942368 on output line 2889 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.32560907 on reference line 2889 in /build/reproducible-path/mopac-22.1.1/tests and -2.31999712 on output line 2889 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -7.63880734 on reference line 2890 in /build/reproducible-path/mopac-22.1.1/tests and -7.66163005 on output line 2890 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between 1.7079983 on reference line 2890 in /build/reproducible-path/mopac-22.1.1/tests and 1.69501364 on output line 2890 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -2.98760483 on reference line 2890 in /build/reproducible-path/mopac-22.1.1/tests and -2.98654503 on output line 2890 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -18.41149131 on reference line 2892 in /build/reproducible-path/mopac-22.1.1/tests and -18.41180881 on output line 2892 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -9.68402656 on reference line 2892 in /build/reproducible-path/mopac-22.1.1/tests and -9.68467236 on output line 2892 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -21.21870117 on reference line 2892 in /build/reproducible-path/mopac-22.1.1/tests and -21.21967783 on output line 2892 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -19.40086533 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -8.65248411 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -20.48574669 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -40: -40: -40: MOPAC Job: "co_cis_trip.mop" ended normally on May 12, 2024, at 22:29. -40: -38: -38: -38: MOPAC Job: "co_cis_solv.mop" ended normally on May 12, 2024, at 22:29. -38: -39: -39: -39: MOPAC Job: "co_cis_tdip.mop" ended normally on May 12, 2024, at 22:29. -39: -12: -12: -12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on May 12, 2024, at 22:29. -12: -26: Sun May 12 22:29:44 2024 Job: 'SITE_Individual_residues' started successfully - 16/123 Test #11: pdb1ejg .......................... Passed 3.58 sec -test 15 - Start 15: compare_add-h - -15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop" -15: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -15: Test timeout computed to be: 10000000 -41: -41: -41: MOPAC Job: "co_cis_wrtconf.mop" ended normally on May 12, 2024, at 22:29. -41: - 17/123 Test #14: add-h3 ........................... Passed 3.37 sec -test 16 - Start 16: pdb_compare - -16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop" -16: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -16: Test timeout computed to be: 10000000 -24: Sun May 12 22:29:44 2024 Job: 'SALT' started successfully - 18/123 Test #22: locate_ts ........................ Passed 3.37 sec test 43 Start 43: co_cisd_quin 43: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd_quin.mop" 43: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 43: Test timeout computed to be: 10000000 - 19/123 Test #40: co_cis_trip ...................... Passed 1.07 sec test 44 Start 44: co_cisd_solv 44: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd_solv.mop" 44: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 44: Test timeout computed to be: 10000000 - 20/123 Test #39: co_cis_tdip ...................... Passed 1.29 sec - 21/123 Test #41: co_cis_wrtconf ................... Passed 0.91 sec test 45 Start 45: co_cisd_trip @@ -2302,94 +1858,184 @@ 46: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_extern.mop" "param.txt" 46: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 46: Test timeout computed to be: 10000000 - 22/123 Test #38: co_cis_solv ...................... Passed 1.56 sec test 47 Start 47: co_fail 47: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_fail.mop" 47: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 47: Test timeout computed to be: 10000000 -30: -30: -30: MOPAC Job: "ag20.mop" ended normally on May 12, 2024, at 22:29. -30: - 23/123 Test #32: benzene .......................... Passed 2.67 sec test 48 Start 48: co_field 48: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_field.mop" 48: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 48: Test timeout computed to be: 10000000 -15: Sun May 12 22:29:45 2024 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully -42: -42: -42: MOPAC Job: "co_cisd.mop" ended normally on May 12, 2024, at 22:29. -42: -43: Spin is incompatible with INDO -43: -43: -43: MOPAC Job: "co_cisd_quin.mop" ended normally on May 12, 2024, at 22:29. -43: -3: Sun May 12 22:29:45 2024 Job: 'test_Lewis_for_Proteins' started successfully -44: -44: -44: MOPAC Job: "co_cisd_solv.mop" ended normally on May 12, 2024, at 22:29. -44: - 24/123 Test #30: ag20 ............................. Passed 3.48 sec test 49 Start 49: co_mrci 49: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci.mop" 49: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 49: Test timeout computed to be: 10000000 -45: -45: -45: MOPAC Job: "co_cisd_trip.mop" ended normally on May 12, 2024, at 22:29. -45: -16: Sun May 12 22:29:45 2024 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully - 25/123 Test #42: co_cisd .......................... Passed 1.48 sec test 50 Start 50: co_mrci_maxci 50: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci_maxci.mop" 50: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 50: Test timeout computed to be: 10000000 +test 51 + Start 51: co_mrci_solv + +51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci_solv.mop" +51: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev +51: Test timeout computed to be: 10000000 +6: Mon Jun 16 06:57:53 2025 Job: 'convert_an_edited_PDB_file' started successfully +4: Mon Jun 16 06:57:53 2025 Job: 'Test_XENO' started successfully +9: Mon Jun 16 06:57:53 2025 Job: 'Compare_two_protein_structures' started successfully +10: Mon Jun 16 06:57:53 2025 Job: 'PDB1CBN.ent' started successfully +7: Mon Jun 16 06:57:53 2025 Job: 'convert_an_un-edited_PDB_file' started successfully +8: Mon Jun 16 06:57:53 2025 Job: 'Check_that_TERs_are_preserved' started successfully +25: +25: +25: MOPAC Job: "SALT_2.mop" ended normally on Jun 16, 2025, at 06:57. +25: +2: Mon Jun 16 06:57:53 2025 Job: 'Crambin_1SCF' started successfully +28: Mon Jun 16 06:57:53 2025 Job: 'erratic2' started successfully +14: Mon Jun 16 06:57:53 2025 Job: 'Au_Add-H' started successfully +23: Mon Jun 16 06:57:53 2025 Job: 'IONIZE' started successfully +5: Mon Jun 16 06:57:53 2025 Job: 'Test_Hetero_group' started successfully +9: +9: +9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Jun 16, 2025, at 06:57. +9: +6: +6: +6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Jun 16, 2025, at 06:57. +6: +36: +36: +36: MOPAC Job: "co_cis_PM7.mop" ended normally on Jun 16, 2025, at 06:57. +36: +7: +7: +7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Jun 16, 2025, at 06:57. +7: +4: +4: +4: MOPAC Job: "Test_XENO.mop" ended normally on Jun 16, 2025, at 06:57. +4: +8: +8: +8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Jun 16, 2025, at 06:57. +8: +29: +29: +29: MOPAC Job: "erratic3.mop" ended normally on Jun 16, 2025, at 06:57. +29: +43: Spin is incompatible with INDO +43: +43: +43: MOPAC Job: "co_cisd_quin.mop" ended normally on Jun 16, 2025, at 06:57. +43: 47: FORCE is incompatible with INDO 47: 47: -47: MOPAC Job: "co_fail.mop" ended normally on May 12, 2024, at 22:29. +47: MOPAC Job: "co_fail.mop" ended normally on Jun 16, 2025, at 06:57. 47: +34: +34: +34: MOPAC Job: "co_cis.mop" ended normally on Jun 16, 2025, at 06:57. +34: +1: Mon Jun 16 06:57:53 2025 Job: 'port' started successfully +40: +40: +40: MOPAC Job: "co_cis_trip.mop" ended normally on Jun 16, 2025, at 06:57. +40: +41: +41: +41: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Jun 16, 2025, at 06:57. +41: +48: +48: +48: MOPAC Job: "co_field.mop" ended normally on Jun 16, 2025, at 06:57. +48: +37: +37: +37: MOPAC Job: "co_cis_active.mop" ended normally on Jun 16, 2025, at 06:57. +37: 46: 46: -46: MOPAC Job: "co_extern.mop" ended normally on May 12, 2024, at 22:29. +46: MOPAC Job: "co_extern.mop" ended normally on Jun 16, 2025, at 06:57. 46: - 26/123 Test #45: co_cisd_trip ..................... Passed 1.06 sec -test 51 - Start 51: co_mrci_solv - -51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci_solv.mop" -51: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev -51: Test timeout computed to be: 10000000 - 27/123 Test #43: co_cisd_quin ..................... Passed 1.35 sec +38: +38: +38: MOPAC Job: "co_cis_solv.mop" ended normally on Jun 16, 2025, at 06:57. +38: +35: +35: +35: MOPAC Job: "co_cis_2.mop" ended normally on Jun 16, 2025, at 06:57. +35: +33: +33: +33: MOPAC Job: "co_cas.mop" ended normally on Jun 16, 2025, at 06:57. +33: +39: +39: +39: MOPAC Job: "co_cis_tdip.mop" ended normally on Jun 16, 2025, at 06:57. +39: +45: +45: +45: MOPAC Job: "co_cisd_trip.mop" ended normally on Jun 16, 2025, at 06:57. +45: +44: +44: +44: MOPAC Job: "co_cisd_solv.mop" ended normally on Jun 16, 2025, at 06:57. +44: +50: +50: +50: MOPAC Job: "co_mrci_maxci.mop" ended normally on Jun 16, 2025, at 06:57. +50: +10: +10: +10: MOPAC Job: "PDB1CBN.ent" ended normally on Jun 16, 2025, at 06:57. +10: +42: +42: +42: MOPAC Job: "co_cisd.mop" ended normally on Jun 16, 2025, at 06:57. +42: +5: +5: +5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Jun 16, 2025, at 06:57. +5: +13: Mon Jun 16 06:57:53 2025 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully + 1/123 Test #25: salt2 ............................ Passed 0.39 sec test 52 Start 52: co_pm7 52: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_pm7.mop" 52: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 52: Test timeout computed to be: 10000000 -48: -48: -48: MOPAC Job: "co_field.mop" ended normally on May 12, 2024, at 22:29. -48: - 28/123 Test #44: co_cisd_solv ..................... Passed 1.20 sec +51: +51: +51: MOPAC Job: "co_mrci_solv.mop" ended normally on Jun 16, 2025, at 06:57. +51: +36: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +36: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +12: Mon Jun 16 06:57:53 2025 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully +49: +49: +49: MOPAC Job: "co_mrci.mop" ended normally on Jun 16, 2025, at 06:57. +49: +11: Mon Jun 16 06:57:53 2025 Job: 'PDB1EJG.ent' started successfully + 2/123 Test #33: co_cas ........................... Passed 0.42 sec + 3/123 Test #36: co_cis_PM7 ....................... Passed 0.42 sec + 4/123 Test #43: co_cisd_quin ..................... Passed 0.40 sec + 5/123 Test #47: co_fail .......................... Passed 0.39 sec test 53 Start 53: co_pm7_solv 53: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "co_pm7_solv.mop" 53: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 53: Test timeout computed to be: 10000000 - 29/123 Test #13: add-h2 ........................... Passed 5.30 sec - 30/123 Test #47: co_fail .......................... Passed 1.13 sec test 54 Start 54: co_print @@ -2402,1042 +2048,1347 @@ 55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "no_cis_quar.mop" 55: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 55: Test timeout computed to be: 10000000 -50: -50: -50: MOPAC Job: "co_mrci_maxci.mop" ended normally on May 12, 2024, at 22:29. -50: -15: -15: -15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on May 12, 2024, at 22:29. -15: -16: -16: -16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on May 12, 2024, at 22:29. -16: - 31/123 Test #48: co_field ......................... Passed 1.20 sec test 56 Start 56: no_mrci 56: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "no_mrci.mop" 56: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 56: Test timeout computed to be: 10000000 - 32/123 Test #46: co_extern ........................ Passed 1.58 sec + 6/123 Test #29: erratic-3 ........................ Passed 0.45 sec + 7/123 Test #39: co_cis_tdip ...................... Passed 0.43 sec + 8/123 Test #42: co_cisd .......................... Passed 0.42 sec test 57 Start 57: noparam 57: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "noparam.mop" 57: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 57: Test timeout computed to be: 10000000 -52: -52: -52: MOPAC Job: "co_pm7.mop" ended normally on May 12, 2024, at 22:29. -52: -52: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -52: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -24: -24: -24: MOPAC Job: "SALT.mop" ended normally on May 12, 2024, at 22:29. -24: - 33/123 Test #50: co_mrci_maxci .................... Passed 0.94 sec test 58 Start 58: poly_c8 58: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "poly_c8.mop" 58: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 58: Test timeout computed to be: 10000000 -49: -49: -49: MOPAC Job: "co_mrci.mop" ended normally on May 12, 2024, at 22:29. -49: - 34/123 Test #52: co_pm7 ........................... Passed 0.94 sec test 59 Start 59: poly_c8_mr 59: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/INDO-dev" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "poly_c8_mr.mop" 59: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/INDO-dev 59: Test timeout computed to be: 10000000 -51: -51: -51: MOPAC Job: "co_mrci_solv.mop" ended normally on May 12, 2024, at 22:29. -51: - 35/123 Test #12: add-h ............................ Passed 6.10 sec - 36/123 Test #24: salt ............................. Passed 3.74 sec - 37/123 Test #15: compare_add-h .................... Passed 2.53 sec - 38/123 Test #16: pdb_compare ...................... Passed 2.47 sec -test 17 - Start 17: pdb_compare2 - -17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" -17: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -17: Test timeout computed to be: 10000000 -test 18 - Start 18: pdb_compare3 - -18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" -18: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -18: Test timeout computed to be: 10000000 -test 19 - Start 19: pdb_compare4 - -19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" -19: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -19: Test timeout computed to be: 10000000 -test 20 - Start 20: pdb_compare5 - -20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" -20: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -20: Test timeout computed to be: 10000000 -57: -57: -57: MOPAC Job: "noparam.mop" ended normally on May 12, 2024, at 22:29. -57: -54: WARNING: Specified print options may not behave as expected with INDO -54: -54: -54: MOPAC Job: "co_print.mop" ended normally on May 12, 2024, at 22:29. -54: -53: -53: -53: MOPAC Job: "co_pm7_solv.mop" ended normally on May 12, 2024, at 22:29. -53: -55: -55: -55: MOPAC Job: "no_cis_quar.mop" ended normally on May 12, 2024, at 22:29. -55: - 39/123 Test #49: co_mrci .......................... Passed 1.40 sec -test 21 - Start 21: pdb_compare6 - -21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" -21: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests -21: Test timeout computed to be: 10000000 -53: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -53: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -26: -26: -26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on May 12, 2024, at 22:29. -26: - 40/123 Test #54: co_print ......................... Passed 1.08 sec + 9/123 Test #9: compare_proteins ................. Passed 0.47 sec + 10/123 Test #34: co_cis ........................... Passed 0.46 sec + 11/123 Test #35: co_cis_2 ......................... Passed 0.46 sec + 12/123 Test #37: co_cis_active .................... Passed 0.45 sec + 13/123 Test #38: co_cis_solv ...................... Passed 0.45 sec + 14/123 Test #40: co_cis_trip ...................... Passed 0.45 sec + 15/123 Test #41: co_cis_wrtconf ................... Passed 0.45 sec + 16/123 Test #44: co_cisd_solv ..................... Passed 0.44 sec + 17/123 Test #45: co_cisd_trip ..................... Passed 0.44 sec + 18/123 Test #46: co_extern ........................ Passed 0.43 sec + 19/123 Test #48: co_field ......................... Passed 0.43 sec + 20/123 Test #49: co_mrci .......................... Passed 0.43 sec + 21/123 Test #50: co_mrci_maxci .................... Passed 0.42 sec test 60 Start 60: key-ampersand 60: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "ampersand.mop" 60: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 60: Test timeout computed to be: 10000000 - 41/123 Test #57: noparam .......................... Passed 0.91 sec test 61 Start 61: key-plus 61: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "plus.mop" 61: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 61: Test timeout computed to be: 10000000 - 42/123 Test #53: co_pm7_solv ...................... Passed 1.17 sec test 62 Start 62: key-plusplus 62: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "plusplus.mop" 62: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 62: Test timeout computed to be: 10000000 - 43/123 Test #55: no_cis_quar ...................... Passed 1.16 sec test 63 Start 63: key-0SCF 63: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "0SCF.mop" 63: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 63: Test timeout computed to be: 10000000 -56: -56: -56: MOPAC Job: "no_mrci.mop" ended normally on May 12, 2024, at 22:29. -56: - 44/123 Test #51: co_mrci_solv ..................... Passed 1.57 sec test 64 Start 64: key-1ELECTRON 64: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "1ELECTRON.mop" 64: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 64: Test timeout computed to be: 10000000 - 45/123 Test #26: residues ......................... Passed 4.09 sec test 65 Start 65: key-1SCF 65: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "1SCF.mop" 65: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 65: Test timeout computed to be: 10000000 -62: -62: -62: MOPAC Job: "plusplus.mop" ended normally on May 12, 2024, at 22:29. -62: -64: -64: -64: MOPAC Job: "1ELECTRON.mop" ended normally on May 12, 2024, at 22:29. -64: -18: Sun May 12 22:29:47 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully -19: Sun May 12 22:29:47 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully -60: -60: -60: MOPAC Job: "ampersand.mop" ended normally on May 12, 2024, at 22:29. -60: -64: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -63: -63: -63: MOPAC Job: "0SCF.mop" ended normally on May 12, 2024, at 22:29. -63: - 46/123 Test #56: no_mrci .......................... Passed 1.85 sec test 66 Start 66: key-A0 66: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "A0.mop" 66: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 66: Test timeout computed to be: 10000000 -20: Sun May 12 22:29:48 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully -17: Sun May 12 22:29:48 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully -63: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 47/123 Test #62: key-plusplus ..................... Passed 0.92 sec test 67 Start 67: key-AIGIN 67: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "AIGIN.mop" 67: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 67: Test timeout computed to be: 10000000 -61: -61: -61: MOPAC Job: "plus.mop" ended normally on May 12, 2024, at 22:29. -61: -60: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -60: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -60: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -60: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -60: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -60: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 48/123 Test #64: key-1ELECTRON .................... Passed 0.91 sec test 68 Start 68: key-AIGOUT 68: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "AIGOUT.mop" 68: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 68: Test timeout computed to be: 10000000 -61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -61: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 49/123 Test #63: key-0SCF ......................... Passed 1.14 sec test 69 Start 69: key-ALLBONDS 69: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "ALLBONDS.mop" 69: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 69: Test timeout computed to be: 10000000 - 50/123 Test #61: key-plus ......................... Passed 1.27 sec test 70 Start 70: key-ALLVEC 70: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "ALLVEC.mop" 70: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 70: Test timeout computed to be: 10000000 -21: Sun May 12 22:29:48 2024 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully - 51/123 Test #60: key-ampersand .................... Passed 1.32 sec test 71 Start 71: key-AM1 71: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "AM1.mop" 71: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 71: Test timeout computed to be: 10000000 -66: -66: -66: MOPAC Job: "A0.mop" ended normally on May 12, 2024, at 22:29. -66: -66: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -66: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -65: -65: -65: MOPAC Job: "1SCF.mop" ended normally on May 12, 2024, at 22:29. -65: -65: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -68: -68: -68: MOPAC Job: "AIGOUT.mop" ended normally on May 12, 2024, at 22:29. -68: - 52/123 Test #66: key-A0 ........................... Passed 0.96 sec test 72 Start 72: key-ANGSTROMS 72: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "ANGSTROMS.mop" 72: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 72: Test timeout computed to be: 10000000 - 53/123 Test #65: key-1SCF ......................... Passed 1.24 sec +14: +14: +14: MOPAC Job: "Au_Add-H.mop" ended normally on Jun 16, 2025, at 06:57. +14: + 22/123 Test #7: convert_unedited_pdb ............. Passed 0.52 sec + 23/123 Test #51: co_mrci_solv ..................... Passed 0.46 sec test 73 Start 73: key-AUTOSYM 73: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "AUTOSYM.mop" 73: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 73: Test timeout computed to be: 10000000 -68: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -68: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 54/123 Test #68: key-AIGOUT ....................... Passed 0.94 sec test 74 Start 74: key-BIRADICAL 74: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "BIRADICAL.mop" 74: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 74: Test timeout computed to be: 10000000 -67: -67: -67: MOPAC Job: "AIGIN.mop" ended normally on May 12, 2024, at 22:29. -67: -67: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -67: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -70: -70: -70: MOPAC Job: "ALLVEC.mop" ended normally on May 12, 2024, at 22:29. -70: -19: -19: -19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on May 12, 2024, at 22:29. -19: -69: - 55/123 Test #67: key-AIGIN ........................ Passed 1.33 sec +11: +11: +11: MOPAC Job: "PDB1EJG.ent" ended normally on Jun 16, 2025, at 06:57. +11: +6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-22.1.1/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-22.1.1/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-22.1.1/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-22.1.1/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 24/123 Test #4: xeno ............................. Passed 0.55 sec test 75 Start 75: key-CdotAdotSdot 75: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "CdotAdotSdot.mop" 75: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 75: Test timeout computed to be: 10000000 -69: -69: MOPAC Job: "ALLBONDS.mop" ended normally on May 12, 2024, at 22:29. -69: -70: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -71: -71: -71: MOPAC Job: "AM1.mop" ended normally on May 12, 2024, at 22:29. -71: -71: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -71: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -69: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -69: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -69: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -69: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -69: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -69: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 56/123 Test #70: key-ALLVEC ....................... Passed 1.22 sec + 25/123 Test #5: hetero_group ..................... Passed 0.59 sec test 76 Start 76: key-CdotIdot 76: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "CdotIdot.mop" 76: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 76: Test timeout computed to be: 10000000 -72: -72: -72: MOPAC Job: "ANGSTROMS.mop" ended normally on May 12, 2024, at 22:29. -72: - 57/123 Test #71: key-AM1 .......................... Passed 1.33 sec + 26/123 Test #6: convert_edited_pdb ............... Passed 0.60 sec test 77 Start 77: key-CdotIdotDdot 77: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "CdotIdotDdot.mop" 77: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 77: Test timeout computed to be: 10000000 - 58/123 Test #69: key-ALLBONDS ..................... Passed 1.47 sec + 27/123 Test #8: ters_preserved ................... Passed 0.60 sec test 78 Start 78: key-CHARGE 78: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "CHARGE.mop" 78: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 78: Test timeout computed to be: 10000000 - 59/123 Test #19: pdb_compare4 ..................... Passed 3.00 sec +52: +52: +52: MOPAC Job: "co_pm7.mop" ended normally on Jun 16, 2025, at 06:57. +52: +52: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +52: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +55: +55: +55: MOPAC Job: "no_cis_quar.mop" ended normally on Jun 16, 2025, at 06:57. +55: +54: WARNING: Specified print options may not behave as expected with INDO +53: +53: +53: MOPAC Job: "co_pm7_solv.mop" ended normally on Jun 16, 2025, at 06:57. +53: +32: +32: +32: MOPAC Job: "benzene.mop" ended normally on Jun 16, 2025, at 06:57. +32: +53: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +53: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +54: +54: +54: MOPAC Job: "co_print.mop" ended normally on Jun 16, 2025, at 06:57. +54: + 28/123 Test #52: co_pm7 ........................... Passed 0.29 sec test 79 Start 79: key-CIS 79: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "CIS.mop" 79: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 79: Test timeout computed to be: 10000000 -72: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -72: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -73: -73: -73: MOPAC Job: "AUTOSYM.mop" ended normally on May 12, 2024, at 22:29. -73: -18: -18: -18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on May 12, 2024, at 22:29. -18: - 60/123 Test #72: key-ANGSTROMS .................... Passed 1.16 sec +57: +57: +57: MOPAC Job: "noparam.mop" ended normally on Jun 16, 2025, at 06:57. +57: + 29/123 Test #55: no_cis_quar ...................... Passed 0.26 sec test 80 Start 80: key-CISD 80: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "CISD.mop" 80: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 80: Test timeout computed to be: 10000000 -73: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -73: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 61/123 Test #73: key-AUTOSYM ...................... Passed 1.30 sec +65: +65: +65: MOPAC Job: "1SCF.mop" ended normally on Jun 16, 2025, at 06:57. +65: +64: +64: +64: MOPAC Job: "1ELECTRON.mop" ended normally on Jun 16, 2025, at 06:57. +64: + 30/123 Test #53: co_pm7_solv ...................... Passed 0.29 sec test 81 Start 81: key-CISDT 81: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "CISDT.mop" 81: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 81: Test timeout computed to be: 10000000 -77: -77: -77: MOPAC Job: "CdotIdotDdot.mop" ended normally on May 12, 2024, at 22:29. -77: -17: -17: -17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on May 12, 2024, at 22:29. -17: -79: -79: -79: MOPAC Job: "CIS.mop" ended normally on May 12, 2024, at 22:29. -79: -79: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -78: -78: -78: MOPAC Job: "CHARGE.mop" ended normally on May 12, 2024, at 22:29. -78: -78: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -78: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -78: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -78: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 62/123 Test #79: key-CIS .......................... Passed 0.76 sec +65: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +62: +62: +62: MOPAC Job: "plusplus.mop" ended normally on Jun 16, 2025, at 06:57. +62: +67: +67: +67: MOPAC Job: "AIGIN.mop" ended normally on Jun 16, 2025, at 06:57. +67: +66: +66: +66: MOPAC Job: "A0.mop" ended normally on Jun 16, 2025, at 06:57. +66: +60: +60: +60: MOPAC Job: "ampersand.mop" ended normally on Jun 16, 2025, at 06:57. +60: + 31/123 Test #57: noparam .......................... Passed 0.29 sec test 82 Start 82: key-DISP 82: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "DISP.mop" 82: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 82: Test timeout computed to be: 10000000 -76: -76: -76: MOPAC Job: "CdotIdot.mop" ended normally on May 12, 2024, at 22:29. -76: -80: -80: -80: MOPAC Job: "CISD.mop" ended normally on May 12, 2024, at 22:29. -80: - 63/123 Test #77: key-CdotIdotDdot ................. Passed 0.88 sec +70: +70: +70: MOPAC Job: "ALLVEC.mop" ended normally on Jun 16, 2025, at 06:57. +70: +63: +63: +63: MOPAC Job: "0SCF.mop" ended normally on Jun 16, 2025, at 06:57. +63: +64: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +67: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +67: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 32/123 Test #54: co_print ......................... Passed 0.31 sec test 83 Start 83: key-DOUBLET 83: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "DOUBLET.mop" 83: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 83: Test timeout computed to be: 10000000 - 64/123 Test #78: key-CHARGE ....................... Passed 0.85 sec +68: +68: +68: MOPAC Job: "AIGOUT.mop" ended normally on Jun 16, 2025, at 06:57. +68: +66: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +66: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +61: +61: +61: MOPAC Job: "plus.mop" ended normally on Jun 16, 2025, at 06:57. +61: +68: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +68: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 33/123 Test #10: pdb1cbn .......................... Passed 0.80 sec test 84 Start 84: key-EXTERNAL 84: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat" 84: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 84: Test timeout computed to be: 10000000 -76: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -76: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -76: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -76: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -76: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -76: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 65/123 Test #18: pdb_compare3 ..................... Passed 3.92 sec +30: +30: +30: MOPAC Job: "ag20.mop" ended normally on Jun 16, 2025, at 06:57. +30: +56: +56: +56: MOPAC Job: "no_mrci.mop" ended normally on Jun 16, 2025, at 06:57. +56: +23: +23: +23: MOPAC Job: "IONIZE.mop" ended normally on Jun 16, 2025, at 06:57. +23: +70: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 34/123 Test #32: benzene .......................... Passed 0.77 sec test 85 Start 85: key-EXTERNAL-2 85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL_2.mop" 85: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 85: Test timeout computed to be: 10000000 -80: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -20: -20: -20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on May 12, 2024, at 22:29. -20: - 66/123 Test #80: key-CISD ......................... Passed 0.88 sec + 35/123 Test #65: key-1SCF ......................... Passed 0.30 sec +60: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +60: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +60: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +60: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +60: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +60: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +71: +71: +71: MOPAC Job: "AM1.mop" ended normally on Jun 16, 2025, at 06:57. +71: +69: +69: +69: MOPAC Job: "ALLBONDS.mop" ended normally on Jun 16, 2025, at 06:57. +69: test 86 Start 86: key-INDO 86: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "INDO.mop" 86: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 86: Test timeout computed to be: 10000000 - 67/123 Test #17: pdb_compare2 ..................... Passed 4.19 sec +61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +61: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 36/123 Test #66: key-A0 ........................... Passed 0.31 sec test 87 Start 87: key-MAXCI 87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "MAXCI.mop" 87: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 87: Test timeout computed to be: 10000000 - 68/123 Test #76: key-CdotIdot ..................... Passed 1.41 sec +71: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +71: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 37/123 Test #64: key-1ELECTRON .................... Passed 0.32 sec + 38/123 Test #67: key-AIGIN ........................ Passed 0.31 sec test 88 Start 88: key-MECI 88: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "MECI.mop" 88: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 88: Test timeout computed to be: 10000000 -84: -84: -84: MOPAC Job: "EXTERNAL.mop" ended normally on May 12, 2024, at 22:29. -84: -85: -85: -85: MOPAC Job: "EXTERNAL_2.mop" ended normally on May 12, 2024, at 22:29. -85: - 69/123 Test #20: pdb_compare5 ..................... Passed 4.56 sec test 89 Start 89: key-MNDO 89: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "MNDO.mop" 89: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 89: Test timeout computed to be: 10000000 -83: -83: -83: MOPAC Job: "DOUBLET.mop" ended normally on May 12, 2024, at 22:29. -83: -82: -82: -82: MOPAC Job: "DISP.mop" ended normally on May 12, 2024, at 22:29. -82: - 70/123 Test #84: key-EXTERNAL ..................... Passed 0.87 sec +22: +22: +22: MOPAC Job: "Locate_TS.mop" ended normally on Jun 16, 2025, at 06:57. +22: + 39/123 Test #62: key-plusplus ..................... Passed 0.34 sec test 90 Start 90: key-MNDOD 90: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "MNDOD.mop" 90: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 90: Test timeout computed to be: 10000000 -86: -86: -86: MOPAC Job: "INDO.mop" ended normally on May 12, 2024, at 22:29. -86: -87: -87: -87: MOPAC Job: "MAXCI.mop" ended normally on May 12, 2024, at 22:29. -87: - 71/123 Test #85: key-EXTERNAL-2 ................... Passed 0.87 sec +73: +73: +73: MOPAC Job: "AUTOSYM.mop" ended normally on Jun 16, 2025, at 06:57. +73: + 40/123 Test #63: key-0SCF ......................... Passed 0.35 sec + 41/123 Test #68: key-AIGOUT ....................... Passed 0.34 sec test 91 Start 91: key-MRCI 91: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "MRCI.mop" 91: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 91: Test timeout computed to be: 10000000 - 72/123 Test #86: key-INDO ......................... Passed 0.70 sec test 92 Start 92: key-MS 92: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "MS.mop" 92: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 92: Test timeout computed to be: 10000000 -82: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between 33624.30811 on reference line 89 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 33624.33492 on output line 89 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -185.25248 on reference line 90 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -185.25327 on output line 90 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -192.3822 on reference line 94 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 94 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -4519.7709 on reference line 100 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -4519.77115 on output line 100 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between 3053.64839 on reference line 101 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 3053.64864 on output line 101 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical heat mismatch between -192.3822 on reference line 285 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 285 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -804.92711 on reference line 285 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -804.93045 on output line 285 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -33809.56058 on reference line 287 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -33809.58819 on output line 287 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between 33624.30811 on reference line 288 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 33624.33492 on output line 288 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -185.25248 on reference line 289 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -185.25327 on output line 289 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -82: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 463.20323 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 463.20323 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 73/123 Test #87: key-MAXCI ........................ Passed 0.88 sec + 42/123 Test #70: key-ALLVEC ....................... Passed 0.33 sec test 93 Start 93: key-NOANCI 93: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "NOANCI.mop" 93: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 93: Test timeout computed to be: 10000000 - 74/123 Test #82: key-DISP ......................... Passed 1.38 sec +73: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +73: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +76: +76: +76: MOPAC Job: "CdotIdot.mop" ended normally on Jun 16, 2025, at 06:57. +76: + 43/123 Test #60: key-ampersand .................... Passed 0.37 sec test 94 Start 94: key-NONET 94: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "NONET.mop" 94: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 94: Test timeout computed to be: 10000000 -88: -88: -88: MOPAC Job: "MECI.mop" ended normally on May 12, 2024, at 22:29. -88: - 75/123 Test #83: key-DOUBLET ...................... Passed 1.40 sec + 44/123 Test #61: key-plus ......................... Passed 0.38 sec test 95 Start 95: key-NOSYM 95: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "NOSYM.mop" 95: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 95: Test timeout computed to be: 10000000 -88: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -88: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -89: -89: -89: MOPAC Job: "MNDO.mop" ended normally on May 12, 2024, at 22:29. -89: -89: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -90: -90: -90: MOPAC Job: "MNDOD.mop" ended normally on May 12, 2024, at 22:29. -90: -91: -91: -91: MOPAC Job: "MRCI.mop" ended normally on May 12, 2024, at 22:29. -91: - 76/123 Test #88: key-MECI ......................... Passed 1.26 sec +72: +72: +72: MOPAC Job: "ANGSTROMS.mop" ended normally on Jun 16, 2025, at 06:57. +72: + 45/123 Test #71: key-AM1 .......................... Passed 0.35 sec test 96 Start 96: key-OCTET 96: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "OCTET.mop" 96: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 96: Test timeout computed to be: 10000000 -92: -92: -92: MOPAC Job: "MS.mop" ended normally on May 12, 2024, at 22:29. -92: - 77/123 Test #89: key-MNDO ......................... Passed 0.90 sec + 46/123 Test #23: ionize ........................... Passed 0.89 sec +test 24 + Start 24: salt + +24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SALT.mop" +24: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +24: Test timeout computed to be: 10000000 +69: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +69: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +69: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +69: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +69: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +69: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 47/123 Test #56: no_mrci .......................... Passed 0.43 sec + 48/123 Test #73: key-AUTOSYM ...................... Passed 0.37 sec +test 26 + Start 26: residues + +26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" +26: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +26: Test timeout computed to be: 10000000 test 97 Start 97: key-OPEN 97: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "OPEN.mop" 97: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 97: Test timeout computed to be: 10000000 - 78/123 Test #90: key-MNDOD ........................ Passed 0.88 sec +76: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +76: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +76: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +76: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +76: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +76: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +72: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +72: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +78: +78: +78: MOPAC Job: "CHARGE.mop" ended normally on Jun 16, 2025, at 06:57. +78: + 49/123 Test #30: ag20 ............................. Passed 0.88 sec test 98 Start 98: key-PECI 98: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PECI.mop" 98: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 98: Test timeout computed to be: 10000000 -74: -74: -74: MOPAC Job: "BIRADICAL.mop" ended normally on May 12, 2024, at 22:29. -74: - 79/123 Test #91: key-MRCI ......................... Passed 0.89 sec +77: +77: +77: MOPAC Job: "CdotIdotDdot.mop" ended normally on Jun 16, 2025, at 06:57. +77: +78: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +78: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +78: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +78: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 50/123 Test #11: pdb1ejg .......................... Passed 0.94 sec +test 15 + Start 15: compare_add-h + +15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop" +15: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +15: Test timeout computed to be: 10000000 +79: +79: +79: MOPAC Job: "CIS.mop" ended normally on Jun 16, 2025, at 06:57. +79: + 51/123 Test #69: key-ALLBONDS ..................... Passed 0.44 sec + 52/123 Test #76: key-CdotIdot ..................... Passed 0.36 sec +test 16 + Start 16: pdb_compare + +16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop" +16: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +16: Test timeout computed to be: 10000000 test 99 Start 99: key-PM3 99: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM3.mop" 99: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 99: Test timeout computed to be: 10000000 - 80/123 Test #92: key-MS ........................... Passed 0.92 sec +13: +13: +13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Jun 16, 2025, at 06:57. +13: + 53/123 Test #72: key-ANGSTROMS .................... Passed 0.43 sec test 100 Start 100: key-PM6 100: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM6.mop" 100: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 100: Test timeout computed to be: 10000000 -74: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -74: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -74: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -74: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -93: -93: -93: MOPAC Job: "NOANCI.mop" ended normally on May 12, 2024, at 22:29. -93: -93: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -93: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 81/123 Test #74: key-BIRADICAL .................... Passed 3.73 sec + 54/123 Test #22: locate_ts ........................ Passed 0.95 sec test 101 Start 101: key-PM6-D3 101: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3.mop" 101: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 101: Test timeout computed to be: 10000000 -95: -95: -95: MOPAC Job: "NOSYM.mop" ended normally on May 12, 2024, at 22:29. -95: - 82/123 Test #93: key-NOANCI ....................... Passed 1.10 sec +79: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 55/123 Test #78: key-CHARGE ....................... Passed 0.37 sec test 102 Start 102: key-PM6-D3H4 102: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3H4.mop" 102: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 102: Test timeout computed to be: 10000000 -94: -94: -94: MOPAC Job: "NONET.mop" ended normally on May 12, 2024, at 22:29. -94: -95: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: -96: -96: MOPAC Job: "OCTET.mop" ended normally on May 12, 2024, at 22:29. -96: -96: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -94: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 83/123 Test #95: key-NOSYM ........................ Passed 1.12 sec +80: +80: +80: MOPAC Job: "CISD.mop" ended normally on Jun 16, 2025, at 06:57. +80: + 56/123 Test #79: key-CIS .......................... Passed 0.31 sec test 103 Start 103: key-PM6-D3H4X 103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop" 103: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 103: Test timeout computed to be: 10000000 - 84/123 Test #96: key-OCTET ........................ Passed 0.94 sec +82: +82: +82: MOPAC Job: "DISP.mop" ended normally on Jun 16, 2025, at 06:57. +82: +80: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +83: +83: +83: MOPAC Job: "DOUBLET.mop" ended normally on Jun 16, 2025, at 06:57. +83: +85: +85: +85: MOPAC Job: "EXTERNAL_2.mop" ended normally on Jun 16, 2025, at 06:57. +85: +84: +84: +84: MOPAC Job: "EXTERNAL.mop" ended normally on Jun 16, 2025, at 06:57. +84: +14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-22.1.1/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.09257502 on reference line 2040 in /build/reproducible-path/mopac-22.1.1/tests and -25.4087177 on output line 2040 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.65231367 on reference line 2040 in /build/reproducible-path/mopac-22.1.1/tests and 4.93343674 on output line 2040 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.98509769 on reference line 2040 in /build/reproducible-path/mopac-22.1.1/tests and -1.51193826 on output line 2040 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.23484618 on reference line 2181 in /build/reproducible-path/mopac-22.1.1/tests and -20.38719751 on output line 2181 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.47536281 on reference line 2181 in /build/reproducible-path/mopac-22.1.1/tests and 1.34688967 on output line 2181 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.85948844 on reference line 2181 in /build/reproducible-path/mopac-22.1.1/tests and -2.14176648 on output line 2181 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.65377643 on reference line 2182 in /build/reproducible-path/mopac-22.1.1/tests and -21.61238342 on output line 2182 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.96060373 on reference line 2182 in /build/reproducible-path/mopac-22.1.1/tests and 2.60991373 on output line 2182 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.34959202 on reference line 2182 in /build/reproducible-path/mopac-22.1.1/tests and -1.98400172 on output line 2182 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.16154718 on reference line 2229 in /build/reproducible-path/mopac-22.1.1/tests and -25.08960339 on output line 2229 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.45255965 on reference line 2229 in /build/reproducible-path/mopac-22.1.1/tests and -3.0319964 on output line 2229 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.61895174 on reference line 2229 in /build/reproducible-path/mopac-22.1.1/tests and -5.72910324 on output line 2229 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.24956665 on reference line 2230 in /build/reproducible-path/mopac-22.1.1/tests and -25.72051406 on output line 2230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.58763738 on reference line 2230 in /build/reproducible-path/mopac-22.1.1/tests and -4.27751575 on output line 2230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.39364956 on reference line 2230 in /build/reproducible-path/mopac-22.1.1/tests and -4.64659076 on output line 2230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.05572927 on reference line 2275 in /build/reproducible-path/mopac-22.1.1/tests and -24.39513201 on output line 2275 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.41464752 on reference line 2275 in /build/reproducible-path/mopac-22.1.1/tests and -5.63914024 on output line 2275 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.19811683 on reference line 2275 in /build/reproducible-path/mopac-22.1.1/tests and -19.39727313 on output line 2275 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.31153851 on reference line 2276 in /build/reproducible-path/mopac-22.1.1/tests and -24.57380567 on output line 2276 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.18822066 on reference line 2276 in /build/reproducible-path/mopac-22.1.1/tests and -3.89366359 on output line 2276 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.7437518 on reference line 2276 in /build/reproducible-path/mopac-22.1.1/tests and -19.60363926 on output line 2276 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.331051 on reference line 2326 in /build/reproducible-path/mopac-22.1.1/tests and -12.377982 on output line 2326 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.29196958 on reference line 2326 in /build/reproducible-path/mopac-22.1.1/tests and -5.73598579 on output line 2326 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.19306446 on reference line 2326 in /build/reproducible-path/mopac-22.1.1/tests and -2.35890936 on output line 2326 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.93062705 on reference line 2327 in /build/reproducible-path/mopac-22.1.1/tests and -13.94066495 on output line 2327 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.89968481 on reference line 2327 in /build/reproducible-path/mopac-22.1.1/tests and -6.40711238 on output line 2327 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.67862425 on reference line 2327 in /build/reproducible-path/mopac-22.1.1/tests and -1.8805673 on output line 2327 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.66389204 on reference line 2343 in /build/reproducible-path/mopac-22.1.1/tests and -9.97920164 on output line 2343 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.02768212 on reference line 2343 in /build/reproducible-path/mopac-22.1.1/tests and -1.31268472 on output line 2343 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.76583614 on reference line 2343 in /build/reproducible-path/mopac-22.1.1/tests and -7.86780791 on output line 2343 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.48082798 on reference line 2344 in /build/reproducible-path/mopac-22.1.1/tests and -8.77019671 on output line 2344 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.75211034 on reference line 2344 in /build/reproducible-path/mopac-22.1.1/tests and -0.26571122 on output line 2344 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.87374319 on reference line 2344 in /build/reproducible-path/mopac-22.1.1/tests and -8.61837674 on output line 2344 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.37912209 on reference line 2751 in /build/reproducible-path/mopac-22.1.1/tests and -19.37958664 on output line 2751 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.47728207 on reference line 2751 in /build/reproducible-path/mopac-22.1.1/tests and 3.47704734 on output line 2751 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.08015931 on reference line 2752 in /build/reproducible-path/mopac-22.1.1/tests and -19.0372573 on output line 2752 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.49485343 on reference line 2752 in /build/reproducible-path/mopac-22.1.1/tests and 4.48530839 on output line 2752 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.49596535 on reference line 2752 in /build/reproducible-path/mopac-22.1.1/tests and -0.49870483 on output line 2752 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.54423923 on reference line 2754 in /build/reproducible-path/mopac-22.1.1/tests and -0.54493099 on output line 2754 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.62568807 on reference line 2754 in /build/reproducible-path/mopac-22.1.1/tests and -1.62535547 on output line 2754 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.78786999 on reference line 2755 in /build/reproducible-path/mopac-22.1.1/tests and -18.78736122 on output line 2755 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.29726479 on reference line 2755 in /build/reproducible-path/mopac-22.1.1/tests and 0.29823915 on output line 2755 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.49623479 on reference line 2755 in /build/reproducible-path/mopac-22.1.1/tests and -0.49709518 on output line 2755 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -23.81540101 on reference line 2757 in /build/reproducible-path/mopac-22.1.1/tests and -23.81586062 on output line 2757 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.25990727 on reference line 2757 in /build/reproducible-path/mopac-22.1.1/tests and -1.26113416 on output line 2757 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.13784997 on reference line 2757 in /build/reproducible-path/mopac-22.1.1/tests and -7.13973706 on output line 2757 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.26717581 on reference line 2758 in /build/reproducible-path/mopac-22.1.1/tests and -25.24114752 on output line 2758 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.83209905 on reference line 2758 in /build/reproducible-path/mopac-22.1.1/tests and -0.82622752 on output line 2758 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.19924329 on reference line 2758 in /build/reproducible-path/mopac-22.1.1/tests and -6.1841076 on output line 2758 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.58771229 on reference line 2760 in /build/reproducible-path/mopac-22.1.1/tests and -26.5869777 on output line 2760 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.16641494 on reference line 2760 in /build/reproducible-path/mopac-22.1.1/tests and 4.16626739 on output line 2760 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.3507815 on reference line 2760 in /build/reproducible-path/mopac-22.1.1/tests and -5.35016162 on output line 2760 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.88168025 on reference line 2761 in /build/reproducible-path/mopac-22.1.1/tests and -27.17146498 on output line 2761 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.25771035 on reference line 2761 in /build/reproducible-path/mopac-22.1.1/tests and 5.36654057 on output line 2761 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.9762945 on reference line 2761 in /build/reproducible-path/mopac-22.1.1/tests and -4.09317958 on output line 2761 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.31543028 on reference line 2763 in /build/reproducible-path/mopac-22.1.1/tests and -20.31508536 on output line 2763 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.2425775 on reference line 2763 in /build/reproducible-path/mopac-22.1.1/tests and 8.24284884 on output line 2763 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.51021032 on reference line 2763 in /build/reproducible-path/mopac-22.1.1/tests and -2.51099029 on output line 2763 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.82835999 on reference line 2764 in /build/reproducible-path/mopac-22.1.1/tests and -19.82422148 on output line 2764 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.73371572 on reference line 2764 in /build/reproducible-path/mopac-22.1.1/tests and 8.71896099 on output line 2764 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.07641659 on reference line 2764 in /build/reproducible-path/mopac-22.1.1/tests and -1.0753839 on output line 2764 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.63705715 on reference line 2766 in /build/reproducible-path/mopac-22.1.1/tests and -26.63758041 on output line 2766 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.64375387 on reference line 2766 in /build/reproducible-path/mopac-22.1.1/tests and -8.64517793 on output line 2766 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.87510091 on reference line 2766 in /build/reproducible-path/mopac-22.1.1/tests and -13.87534978 on output line 2766 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.26626303 on reference line 2767 in /build/reproducible-path/mopac-22.1.1/tests and -27.23019189 on output line 2767 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.33661422 on reference line 2767 in /build/reproducible-path/mopac-22.1.1/tests and -8.28839024 on output line 2767 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.33206622 on reference line 2767 in /build/reproducible-path/mopac-22.1.1/tests and -12.33564949 on output line 2767 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.74263691 on reference line 2769 in /build/reproducible-path/mopac-22.1.1/tests and -18.74352583 on output line 2769 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.34613944 on reference line 2769 in /build/reproducible-path/mopac-22.1.1/tests and -10.346813 on output line 2769 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.56273523 on reference line 2769 in /build/reproducible-path/mopac-22.1.1/tests and -10.56292657 on output line 2769 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.23266328 on reference line 2770 in /build/reproducible-path/mopac-22.1.1/tests and -19.23335143 on output line 2770 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.21527924 on reference line 2770 in /build/reproducible-path/mopac-22.1.1/tests and -10.21508147 on output line 2770 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.94743906 on reference line 2770 in /build/reproducible-path/mopac-22.1.1/tests and -8.9480993 on output line 2770 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.41273843 on reference line 2772 in /build/reproducible-path/mopac-22.1.1/tests and -26.41248837 on output line 2772 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.2632241 on reference line 2772 in /build/reproducible-path/mopac-22.1.1/tests and -6.26416148 on output line 2772 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.90653229 on reference line 2773 in /build/reproducible-path/mopac-22.1.1/tests and -27.92363514 on output line 2773 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.87816793 on reference line 2773 in /build/reproducible-path/mopac-22.1.1/tests and -5.91353847 on output line 2773 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.45832761 on reference line 2773 in /build/reproducible-path/mopac-22.1.1/tests and -11.42786521 on output line 2773 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -28.52601312 on reference line 2775 in /build/reproducible-path/mopac-22.1.1/tests and -28.52569076 on output line 2775 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.03278692 on reference line 2775 in /build/reproducible-path/mopac-22.1.1/tests and -5.03195924 on output line 2775 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.67691671 on reference line 2775 in /build/reproducible-path/mopac-22.1.1/tests and -4.67660822 on output line 2775 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -29.15981812 on reference line 2776 in /build/reproducible-path/mopac-22.1.1/tests and -29.14484039 on output line 2776 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.32055685 on reference line 2776 in /build/reproducible-path/mopac-22.1.1/tests and -4.32455686 on output line 2776 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.33824004 on reference line 2776 in /build/reproducible-path/mopac-22.1.1/tests and -3.32785299 on output line 2776 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.99007761 on reference line 2778 in /build/reproducible-path/mopac-22.1.1/tests and -15.98972429 on output line 2778 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.65736055 on reference line 2778 in /build/reproducible-path/mopac-22.1.1/tests and -1.65704454 on output line 2778 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.05058627 on reference line 2778 in /build/reproducible-path/mopac-22.1.1/tests and -1.05040335 on output line 2778 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.14286897 on reference line 2779 in /build/reproducible-path/mopac-22.1.1/tests and -16.140887 on output line 2779 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.35269212 on reference line 2779 in /build/reproducible-path/mopac-22.1.1/tests and -1.3517963 on output line 2779 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.50763251 on reference line 2779 in /build/reproducible-path/mopac-22.1.1/tests and 0.50685057 on output line 2779 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.57246167 on reference line 2781 in /build/reproducible-path/mopac-22.1.1/tests and -12.57284802 on output line 2781 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.78891044 on reference line 2781 in /build/reproducible-path/mopac-22.1.1/tests and 9.78959555 on output line 2781 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.17854342 on reference line 2781 in /build/reproducible-path/mopac-22.1.1/tests and -4.17820692 on output line 2781 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.78483724 on reference line 2782 in /build/reproducible-path/mopac-22.1.1/tests and -13.83630278 on output line 2782 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.56477783 on reference line 2782 in /build/reproducible-path/mopac-22.1.1/tests and 10.49994546 on output line 2782 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.81627347 on reference line 2782 in /build/reproducible-path/mopac-22.1.1/tests and -4.80154361 on output line 2782 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.43240254 on reference line 2784 in /build/reproducible-path/mopac-22.1.1/tests and -24.43162763 on output line 2784 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.81875854 on reference line 2784 in /build/reproducible-path/mopac-22.1.1/tests and 0.81956961 on output line 2784 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.25421139 on reference line 2784 in /build/reproducible-path/mopac-22.1.1/tests and -4.25506995 on output line 2784 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.87006357 on reference line 2785 in /build/reproducible-path/mopac-22.1.1/tests and -25.83936761 on output line 2785 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.97210473 on reference line 2785 in /build/reproducible-path/mopac-22.1.1/tests and 1.0229756 on output line 2785 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.76891789 on reference line 2785 in /build/reproducible-path/mopac-22.1.1/tests and -4.75139431 on output line 2785 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.35640189 on reference line 2787 in /build/reproducible-path/mopac-22.1.1/tests and 10.356723 on output line 2787 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.92773971 on reference line 2787 in /build/reproducible-path/mopac-22.1.1/tests and -1.92792713 on output line 2787 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 11.37284728 on reference line 2788 in /build/reproducible-path/mopac-22.1.1/tests and 11.37250757 on output line 2788 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.65843067 on reference line 2788 in /build/reproducible-path/mopac-22.1.1/tests and -0.65818691 on output line 2788 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.89089111 on reference line 2790 in /build/reproducible-path/mopac-22.1.1/tests and -15.89063547 on output line 2790 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.39333476 on reference line 2790 in /build/reproducible-path/mopac-22.1.1/tests and -5.39391636 on output line 2790 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.64983371 on reference line 2790 in /build/reproducible-path/mopac-22.1.1/tests and -1.6492924 on output line 2790 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.20379371 on reference line 2791 in /build/reproducible-path/mopac-22.1.1/tests and -17.21612221 on output line 2791 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.92038582 on reference line 2791 in /build/reproducible-path/mopac-22.1.1/tests and -5.92621398 on output line 2791 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.35454957 on reference line 2791 in /build/reproducible-path/mopac-22.1.1/tests and -1.36608455 on output line 2791 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.12868031 on reference line 2793 in /build/reproducible-path/mopac-22.1.1/tests and -15.82546804 on output line 2793 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.2231296 on reference line 2793 in /build/reproducible-path/mopac-22.1.1/tests and 9.04598005 on output line 2793 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.42508468 on reference line 2793 in /build/reproducible-path/mopac-22.1.1/tests and -0.28619058 on output line 2793 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.61174596 on reference line 2794 in /build/reproducible-path/mopac-22.1.1/tests and -15.72305851 on output line 2794 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.11147189 on reference line 2794 in /build/reproducible-path/mopac-22.1.1/tests and 9.09420747 on output line 2794 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.1904536 on reference line 2794 in /build/reproducible-path/mopac-22.1.1/tests and 1.29170796 on output line 2794 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.63872155 on reference line 2796 in /build/reproducible-path/mopac-22.1.1/tests and -26.63771996 on output line 2796 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 4.94394297 on reference line 2796 in /build/reproducible-path/mopac-22.1.1/tests and 4.94405047 on output line 2796 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.64025125 on reference line 2796 in /build/reproducible-path/mopac-22.1.1/tests and -10.63855556 on output line 2796 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.29716872 on reference line 2797 in /build/reproducible-path/mopac-22.1.1/tests and -27.39641461 on output line 2797 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.42799545 on reference line 2797 in /build/reproducible-path/mopac-22.1.1/tests and 5.0443906 on output line 2797 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.35039857 on reference line 2797 in /build/reproducible-path/mopac-22.1.1/tests and -9.17720324 on output line 2797 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.80096784 on reference line 2799 in /build/reproducible-path/mopac-22.1.1/tests and -25.80129853 on output line 2799 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.90314922 on reference line 2799 in /build/reproducible-path/mopac-22.1.1/tests and 1.90388881 on output line 2799 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.69591735 on reference line 2799 in /build/reproducible-path/mopac-22.1.1/tests and -5.69409617 on output line 2799 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.03882099 on reference line 2800 in /build/reproducible-path/mopac-22.1.1/tests and -27.05268549 on output line 2800 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.73641484 on reference line 2800 in /build/reproducible-path/mopac-22.1.1/tests and 2.75579152 on output line 2800 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.49823632 on reference line 2800 in /build/reproducible-path/mopac-22.1.1/tests and -5.519357 on output line 2800 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.35517002 on reference line 2802 in /build/reproducible-path/mopac-22.1.1/tests and -26.36924173 on output line 2802 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.19781955 on reference line 2802 in /build/reproducible-path/mopac-22.1.1/tests and -7.20127875 on output line 2802 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.53765266 on reference line 2802 in /build/reproducible-path/mopac-22.1.1/tests and -9.54432161 on output line 2802 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.60857866 on reference line 2803 in /build/reproducible-path/mopac-22.1.1/tests and -26.53015671 on output line 2803 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.77491802 on reference line 2803 in /build/reproducible-path/mopac-22.1.1/tests and -6.79306657 on output line 2803 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.06194087 on reference line 2803 in /build/reproducible-path/mopac-22.1.1/tests and -8.05518195 on output line 2803 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.06467931 on reference line 2805 in /build/reproducible-path/mopac-22.1.1/tests and -25.06509356 on output line 2805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.35139106 on reference line 2805 in /build/reproducible-path/mopac-22.1.1/tests and 0.34917689 on output line 2805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.07707087 on reference line 2805 in /build/reproducible-path/mopac-22.1.1/tests and -3.0790991 on output line 2805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.98678174 on reference line 2806 in /build/reproducible-path/mopac-22.1.1/tests and -26.0144229 on output line 2806 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.60192149 on reference line 2806 in /build/reproducible-path/mopac-22.1.1/tests and 0.61995651 on output line 2806 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.81489644 on reference line 2806 in /build/reproducible-path/mopac-22.1.1/tests and -1.84404272 on output line 2806 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.42603282 on reference line 2808 in /build/reproducible-path/mopac-22.1.1/tests and -11.42637517 on output line 2808 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.50245652 on reference line 2808 in /build/reproducible-path/mopac-22.1.1/tests and -6.5035041 on output line 2808 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.97642129 on reference line 2808 in /build/reproducible-path/mopac-22.1.1/tests and -4.9751341 on output line 2808 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.44511525 on reference line 2809 in /build/reproducible-path/mopac-22.1.1/tests and -12.44713535 on output line 2809 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.56269294 on reference line 2809 in /build/reproducible-path/mopac-22.1.1/tests and -7.56713161 on output line 2809 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -5.07697787 on reference line 2809 in /build/reproducible-path/mopac-22.1.1/tests and -5.08288059 on output line 2809 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.89399494 on reference line 2811 in /build/reproducible-path/mopac-22.1.1/tests and -24.89383873 on output line 2811 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.79107399 on reference line 2811 in /build/reproducible-path/mopac-22.1.1/tests and 5.79009039 on output line 2811 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.0921481 on reference line 2811 in /build/reproducible-path/mopac-22.1.1/tests and -12.09329317 on output line 2811 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.2990424 on reference line 2812 in /build/reproducible-path/mopac-22.1.1/tests and -25.33819089 on output line 2812 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.60265724 on reference line 2812 in /build/reproducible-path/mopac-22.1.1/tests and 5.60716047 on output line 2812 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.69720955 on reference line 2812 in /build/reproducible-path/mopac-22.1.1/tests and -10.70659749 on output line 2812 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.86620113 on reference line 2817 in /build/reproducible-path/mopac-22.1.1/tests and -9.86649419 on output line 2817 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.84358839 on reference line 2817 in /build/reproducible-path/mopac-22.1.1/tests and -0.84294687 on output line 2817 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.33377815 on reference line 2817 in /build/reproducible-path/mopac-22.1.1/tests and -12.33431704 on output line 2817 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.02643753 on reference line 2818 in /build/reproducible-path/mopac-22.1.1/tests and -11.02743399 on output line 2818 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.51625563 on reference line 2818 in /build/reproducible-path/mopac-22.1.1/tests and -0.51511405 on output line 2818 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.30194648 on reference line 2818 in /build/reproducible-path/mopac-22.1.1/tests and -11.30303646 on output line 2818 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -26.24973513 on reference line 2820 in /build/reproducible-path/mopac-22.1.1/tests and -26.25034932 on output line 2820 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.87894813 on reference line 2820 in /build/reproducible-path/mopac-22.1.1/tests and 9.88034354 on output line 2820 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.83580958 on reference line 2820 in /build/reproducible-path/mopac-22.1.1/tests and -7.83610679 on output line 2820 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -27.41503889 on reference line 2821 in /build/reproducible-path/mopac-22.1.1/tests and -27.4539626 on output line 2821 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 10.11533718 on reference line 2821 in /build/reproducible-path/mopac-22.1.1/tests and 10.14891782 on output line 2821 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.84920741 on reference line 2821 in /build/reproducible-path/mopac-22.1.1/tests and -6.89273781 on output line 2821 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.77107219 on reference line 2823 in /build/reproducible-path/mopac-22.1.1/tests and -8.77375084 on output line 2823 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.24113291 on reference line 2823 in /build/reproducible-path/mopac-22.1.1/tests and -1.23966625 on output line 2823 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.09687958 on reference line 2823 in /build/reproducible-path/mopac-22.1.1/tests and -13.09611937 on output line 2823 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.81115641 on reference line 2824 in /build/reproducible-path/mopac-22.1.1/tests and -8.80915902 on output line 2824 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.23374834 on reference line 2824 in /build/reproducible-path/mopac-22.1.1/tests and 0.23156178 on output line 2824 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.37299479 on reference line 2824 in /build/reproducible-path/mopac-22.1.1/tests and -12.3663575 on output line 2824 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.07006428 on reference line 2826 in /build/reproducible-path/mopac-22.1.1/tests and -9.07109057 on output line 2826 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.35238972 on reference line 2826 in /build/reproducible-path/mopac-22.1.1/tests and 1.35296182 on output line 2826 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.29522842 on reference line 2826 in /build/reproducible-path/mopac-22.1.1/tests and -1.29602834 on output line 2826 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.98838636 on reference line 2827 in /build/reproducible-path/mopac-22.1.1/tests and -9.98852672 on output line 2827 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.4737518 on reference line 2827 in /build/reproducible-path/mopac-22.1.1/tests and 1.47481546 on output line 2827 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.05694729 on reference line 2827 in /build/reproducible-path/mopac-22.1.1/tests and -0.05789473 on output line 2827 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.05155902 on reference line 2829 in /build/reproducible-path/mopac-22.1.1/tests and -18.05237255 on output line 2829 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.46573504 on reference line 2829 in /build/reproducible-path/mopac-22.1.1/tests and -7.4649597 on output line 2829 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.00621241 on reference line 2829 in /build/reproducible-path/mopac-22.1.1/tests and -17.00514651 on output line 2829 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.12246956 on reference line 2830 in /build/reproducible-path/mopac-22.1.1/tests and -19.11190335 on output line 2830 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.51299867 on reference line 2830 in /build/reproducible-path/mopac-22.1.1/tests and -6.51107168 on output line 2830 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.58030053 on reference line 2830 in /build/reproducible-path/mopac-22.1.1/tests and -17.55051805 on output line 2830 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.04428349 on reference line 2832 in /build/reproducible-path/mopac-22.1.1/tests and -17.04478647 on output line 2832 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.68484657 on reference line 2832 in /build/reproducible-path/mopac-22.1.1/tests and 7.68631371 on output line 2832 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.31540235 on reference line 2832 in /build/reproducible-path/mopac-22.1.1/tests and -15.31467703 on output line 2832 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.19386112 on reference line 2833 in /build/reproducible-path/mopac-22.1.1/tests and -17.18983826 on output line 2833 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.87816785 on reference line 2833 in /build/reproducible-path/mopac-22.1.1/tests and 8.88149311 on output line 2833 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.1612366 on reference line 2833 in /build/reproducible-path/mopac-22.1.1/tests and -16.16335424 on output line 2833 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.65893202 on reference line 2836 in /build/reproducible-path/mopac-22.1.1/tests and -17.63672804 on output line 2836 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.05063419 on reference line 2836 in /build/reproducible-path/mopac-22.1.1/tests and -11.10806463 on output line 2836 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.65257249 on reference line 2836 in /build/reproducible-path/mopac-22.1.1/tests and -21.63303127 on output line 2836 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.59134279 on reference line 2841 in /build/reproducible-path/mopac-22.1.1/tests and -16.41576282 on output line 2841 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.59932934 on reference line 2841 in /build/reproducible-path/mopac-22.1.1/tests and 7.51131586 on output line 2841 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.03797243 on reference line 2841 in /build/reproducible-path/mopac-22.1.1/tests and -11.75465435 on output line 2841 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.61733971 on reference line 2842 in /build/reproducible-path/mopac-22.1.1/tests and -16.46710645 on output line 2842 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 6.21751144 on reference line 2842 in /build/reproducible-path/mopac-22.1.1/tests and 5.9857306 on output line 2842 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.28343673 on reference line 2842 in /build/reproducible-path/mopac-22.1.1/tests and -11.43213905 on output line 2842 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.11203152 on reference line 2844 in /build/reproducible-path/mopac-22.1.1/tests and -24.1116519 on output line 2844 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.09756434 on reference line 2844 in /build/reproducible-path/mopac-22.1.1/tests and 3.09848229 on output line 2844 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.35503391 on reference line 2844 in /build/reproducible-path/mopac-22.1.1/tests and -13.35454503 on output line 2844 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -23.38182005 on reference line 2845 in /build/reproducible-path/mopac-22.1.1/tests and -23.38159643 on output line 2845 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.96175172 on reference line 2845 in /build/reproducible-path/mopac-22.1.1/tests and 2.96249257 on output line 2845 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.14091649 on reference line 2845 in /build/reproducible-path/mopac-22.1.1/tests and -12.14118773 on output line 2845 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.08343845 on reference line 2847 in /build/reproducible-path/mopac-22.1.1/tests and -8.97805041 on output line 2847 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -0.35974774 on reference line 2847 in /build/reproducible-path/mopac-22.1.1/tests and -0.37668719 on output line 2847 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.56959649 on reference line 2847 in /build/reproducible-path/mopac-22.1.1/tests and -16.48485522 on output line 2847 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.43196051 on reference line 2848 in /build/reproducible-path/mopac-22.1.1/tests and -9.09274884 on output line 2848 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.07397591 on reference line 2848 in /build/reproducible-path/mopac-22.1.1/tests and 1.06473541 on output line 2848 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.4553602 on reference line 2848 in /build/reproducible-path/mopac-22.1.1/tests and -17.19724947 on output line 2848 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.5469163 on reference line 2850 in /build/reproducible-path/mopac-22.1.1/tests and -8.54560377 on output line 2850 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.37271789 on reference line 2850 in /build/reproducible-path/mopac-22.1.1/tests and 2.37230166 on output line 2850 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.32067004 on reference line 2850 in /build/reproducible-path/mopac-22.1.1/tests and -8.32052798 on output line 2850 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.15868058 on reference line 2851 in /build/reproducible-path/mopac-22.1.1/tests and -8.16863774 on output line 2851 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.76995826 on reference line 2851 in /build/reproducible-path/mopac-22.1.1/tests and 3.77850659 on output line 2851 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.79460878 on reference line 2851 in /build/reproducible-path/mopac-22.1.1/tests and -8.81405455 on output line 2851 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -14.83911413 on reference line 2853 in /build/reproducible-path/mopac-22.1.1/tests and -14.89863175 on output line 2853 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.18200013 on reference line 2853 in /build/reproducible-path/mopac-22.1.1/tests and 8.41273068 on output line 2853 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.63312758 on reference line 2853 in /build/reproducible-path/mopac-22.1.1/tests and 0.95305449 on output line 2853 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -14.23499265 on reference line 2854 in /build/reproducible-path/mopac-22.1.1/tests and -13.94541701 on output line 2854 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.3170698 on reference line 2854 in /build/reproducible-path/mopac-22.1.1/tests and 7.89096662 on output line 2854 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.08761338 on reference line 2854 in /build/reproducible-path/mopac-22.1.1/tests and 2.1662108 on output line 2854 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.40964255 on reference line 2856 in /build/reproducible-path/mopac-22.1.1/tests and -10.4116109 on output line 2856 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 5.49343688 on reference line 2856 in /build/reproducible-path/mopac-22.1.1/tests and 5.49532471 on output line 2856 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.27304047 on reference line 2856 in /build/reproducible-path/mopac-22.1.1/tests and -11.27261984 on output line 2856 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.64962453 on reference line 2857 in /build/reproducible-path/mopac-22.1.1/tests and -9.6127948 on output line 2857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 6.82767825 on reference line 2857 in /build/reproducible-path/mopac-22.1.1/tests and 6.80706307 on output line 2857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.03734378 on reference line 2857 in /build/reproducible-path/mopac-22.1.1/tests and -11.03033722 on output line 2857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.06133351 on reference line 2859 in /build/reproducible-path/mopac-22.1.1/tests and -24.06461636 on output line 2859 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.50710141 on reference line 2859 in /build/reproducible-path/mopac-22.1.1/tests and 7.50991984 on output line 2859 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.91516357 on reference line 2859 in /build/reproducible-path/mopac-22.1.1/tests and -10.90972453 on output line 2859 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -23.34347313 on reference line 2860 in /build/reproducible-path/mopac-22.1.1/tests and -23.33321584 on output line 2860 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 7.35585998 on reference line 2860 in /build/reproducible-path/mopac-22.1.1/tests and 7.35687354 on output line 2860 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.53337347 on reference line 2860 in /build/reproducible-path/mopac-22.1.1/tests and -9.5315698 on output line 2860 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.88261942 on reference line 2862 in /build/reproducible-path/mopac-22.1.1/tests and -8.88163046 on output line 2862 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.09443301 on reference line 2862 in /build/reproducible-path/mopac-22.1.1/tests and 0.09582129 on output line 2862 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.29865112 on reference line 2862 in /build/reproducible-path/mopac-22.1.1/tests and -11.29876843 on output line 2862 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.10304156 on reference line 2863 in /build/reproducible-path/mopac-22.1.1/tests and -9.12445921 on output line 2863 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.24455092 on reference line 2863 in /build/reproducible-path/mopac-22.1.1/tests and 1.20276671 on output line 2863 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.93178377 on reference line 2863 in /build/reproducible-path/mopac-22.1.1/tests and -9.86601174 on output line 2863 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.58583941 on reference line 2865 in /build/reproducible-path/mopac-22.1.1/tests and -20.58553126 on output line 2865 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.98241396 on reference line 2865 in /build/reproducible-path/mopac-22.1.1/tests and -11.98220964 on output line 2865 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.88860644 on reference line 2865 in /build/reproducible-path/mopac-22.1.1/tests and -15.8899698 on output line 2865 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.46094902 on reference line 2866 in /build/reproducible-path/mopac-22.1.1/tests and -21.46266654 on output line 2866 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -13.12913775 on reference line 2866 in /build/reproducible-path/mopac-22.1.1/tests and -13.13195604 on output line 2866 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.70632327 on reference line 2866 in /build/reproducible-path/mopac-22.1.1/tests and -15.71283133 on output line 2866 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.78956207 on reference line 2868 in /build/reproducible-path/mopac-22.1.1/tests and -8.7963714 on output line 2868 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.52644938 on reference line 2868 in /build/reproducible-path/mopac-22.1.1/tests and 3.52508114 on output line 2868 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.87361516 on reference line 2868 in /build/reproducible-path/mopac-22.1.1/tests and -3.87934147 on output line 2868 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.12619804 on reference line 2869 in /build/reproducible-path/mopac-22.1.1/tests and -9.07465151 on output line 2869 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 3.85805184 on reference line 2869 in /build/reproducible-path/mopac-22.1.1/tests and 3.89634619 on output line 2869 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.42831223 on reference line 2869 in /build/reproducible-path/mopac-22.1.1/tests and -2.43284288 on output line 2869 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.51972818 on reference line 2871 in /build/reproducible-path/mopac-22.1.1/tests and -10.48265329 on output line 2871 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -6.19068571 on reference line 2871 in /build/reproducible-path/mopac-22.1.1/tests and -6.16438893 on output line 2871 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.00555327 on reference line 2871 in /build/reproducible-path/mopac-22.1.1/tests and -4.05012086 on output line 2871 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.42843253 on reference line 2872 in /build/reproducible-path/mopac-22.1.1/tests and -10.61890998 on output line 2872 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -4.93264437 on reference line 2872 in /build/reproducible-path/mopac-22.1.1/tests and -5.07527177 on output line 2872 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.11705163 on reference line 2872 in /build/reproducible-path/mopac-22.1.1/tests and -2.97112997 on output line 2872 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -24.32067401 on reference line 2874 in /build/reproducible-path/mopac-22.1.1/tests and -24.32130238 on output line 2874 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.73971629 on reference line 2874 in /build/reproducible-path/mopac-22.1.1/tests and -9.7398214 on output line 2874 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.41051384 on reference line 2874 in /build/reproducible-path/mopac-22.1.1/tests and -8.40961116 on output line 2874 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -25.67442528 on reference line 2875 in /build/reproducible-path/mopac-22.1.1/tests and -25.67124163 on output line 2875 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.13702411 on reference line 2875 in /build/reproducible-path/mopac-22.1.1/tests and -9.12877374 on output line 2875 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.36645208 on reference line 2875 in /build/reproducible-path/mopac-22.1.1/tests and -8.37120544 on output line 2875 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.87069779 on reference line 2877 in /build/reproducible-path/mopac-22.1.1/tests and -9.87083433 on output line 2877 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 0.77992589 on reference line 2877 in /build/reproducible-path/mopac-22.1.1/tests and 0.78095047 on output line 2877 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.93858586 on reference line 2877 in /build/reproducible-path/mopac-22.1.1/tests and -17.93782341 on output line 2877 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.98094798 on reference line 2878 in /build/reproducible-path/mopac-22.1.1/tests and -11.29139514 on output line 2878 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.79273272 on reference line 2878 in /build/reproducible-path/mopac-22.1.1/tests and 1.66938084 on output line 2878 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -17.89287638 on reference line 2878 in /build/reproducible-path/mopac-22.1.1/tests and -18.03025766 on output line 2878 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -12.17433054 on reference line 2880 in /build/reproducible-path/mopac-22.1.1/tests and -12.17400414 on output line 2880 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -3.02920522 on reference line 2880 in /build/reproducible-path/mopac-22.1.1/tests and -3.02986913 on output line 2880 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -11.44721154 on reference line 2881 in /build/reproducible-path/mopac-22.1.1/tests and -11.40986346 on output line 2881 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.72486168 on reference line 2881 in /build/reproducible-path/mopac-22.1.1/tests and 9.74614022 on output line 2881 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -1.81140233 on reference line 2881 in /build/reproducible-path/mopac-22.1.1/tests and -1.82556729 on output line 2881 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.85750604 on reference line 2883 in /build/reproducible-path/mopac-22.1.1/tests and -15.85733021 on output line 2883 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.84453175 on reference line 2883 in /build/reproducible-path/mopac-22.1.1/tests and -8.84472726 on output line 2883 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.56017065 on reference line 2883 in /build/reproducible-path/mopac-22.1.1/tests and -16.55948865 on output line 2883 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -15.63288424 on reference line 2884 in /build/reproducible-path/mopac-22.1.1/tests and -15.62669418 on output line 2884 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.26283864 on reference line 2884 in /build/reproducible-path/mopac-22.1.1/tests and -10.25935756 on output line 2884 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.21828288 on reference line 2884 in /build/reproducible-path/mopac-22.1.1/tests and -16.21271511 on output line 2884 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.00001112 on reference line 2886 in /build/reproducible-path/mopac-22.1.1/tests and -15.62089712 on output line 2886 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 8.08308776 on reference line 2886 in /build/reproducible-path/mopac-22.1.1/tests and 8.26074147 on output line 2886 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.92109193 on reference line 2886 in /build/reproducible-path/mopac-22.1.1/tests and -10.94219452 on output line 2886 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -16.64319015 on reference line 2887 in /build/reproducible-path/mopac-22.1.1/tests and -16.58717244 on output line 2887 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 9.314366 on reference line 2887 in /build/reproducible-path/mopac-22.1.1/tests and 9.18700967 on output line 2887 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -10.20224459 on reference line 2887 in /build/reproducible-path/mopac-22.1.1/tests and -10.14429206 on output line 2887 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.83323498 on reference line 2889 in /build/reproducible-path/mopac-22.1.1/tests and -8.82835436 on output line 2889 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 2.47000334 on reference line 2889 in /build/reproducible-path/mopac-22.1.1/tests and 2.48942482 on output line 2889 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.32560907 on reference line 2889 in /build/reproducible-path/mopac-22.1.1/tests and -2.31999911 on output line 2889 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -7.63880734 on reference line 2890 in /build/reproducible-path/mopac-22.1.1/tests and -7.66163531 on output line 2890 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between 1.7079983 on reference line 2890 in /build/reproducible-path/mopac-22.1.1/tests and 1.69500394 on output line 2890 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -2.98760483 on reference line 2890 in /build/reproducible-path/mopac-22.1.1/tests and -2.98654041 on output line 2890 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -18.41149131 on reference line 2892 in /build/reproducible-path/mopac-22.1.1/tests and -18.41180881 on output line 2892 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -9.68402656 on reference line 2892 in /build/reproducible-path/mopac-22.1.1/tests and -9.68467236 on output line 2892 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -21.21870117 on reference line 2892 in /build/reproducible-path/mopac-22.1.1/tests and -21.21967783 on output line 2892 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -19.40086533 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -8.65248411 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-22.1.1/tests and -20.48574669 on output line 2893 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +88: +88: +88: MOPAC Job: "MECI.mop" ended normally on Jun 16, 2025, at 06:57. +88: +86: +86: +86: MOPAC Job: "INDO.mop" ended normally on Jun 16, 2025, at 06:57. +86: +87: +87: +87: MOPAC Job: "MAXCI.mop" ended normally on Jun 16, 2025, at 06:57. +87: + 57/123 Test #77: key-CdotIdotDdot ................. Passed 0.46 sec test 104 Start 104: key-PM6-DHplus 104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DHplus.mop" 104: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 104: Test timeout computed to be: 10000000 -97: -97: -97: MOPAC Job: "OPEN.mop" ended normally on May 12, 2024, at 22:29. -97: - 85/123 Test #94: key-NONET ........................ Passed 1.33 sec +88: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +88: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 58/123 Test #80: key-CISD ......................... Passed 0.36 sec test 105 Start 105: key-PM6-DH2 105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DH2.mop" 105: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 105: Test timeout computed to be: 10000000 -100: -100: -100: MOPAC Job: "PM6.mop" ended normally on May 12, 2024, at 22:29. -100: -100: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -100: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -99: -99: -99: MOPAC Job: "PM3.mop" ended normally on May 12, 2024, at 22:29. -99: -99: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 86/123 Test #100: key-PM6 .......................... Passed 0.92 sec +82: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between 33624.30811 on reference line 89 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 33624.33492 on output line 89 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -185.25248 on reference line 90 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -185.25327 on output line 90 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -192.3822 on reference line 94 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 94 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -4519.7709 on reference line 100 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -4519.77115 on output line 100 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between 3053.64839 on reference line 101 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 3053.64864 on output line 101 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical heat mismatch between -192.3822 on reference line 285 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 285 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -804.92711 on reference line 285 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -804.93045 on output line 285 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -33809.56058 on reference line 287 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -33809.58819 on output line 287 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between 33624.30811 on reference line 288 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 33624.33492 on output line 288 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -185.25248 on reference line 289 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -185.25327 on output line 289 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +82: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +12: +12: +12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Jun 16, 2025, at 06:57. +12: +89: +89: +89: MOPAC Job: "MNDO.mop" ended normally on Jun 16, 2025, at 06:57. +89: +83: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 463.20323 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 463.20323 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +90: +90: +90: MOPAC Job: "MNDOD.mop" ended normally on Jun 16, 2025, at 06:57. +90: +89: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 59/123 Test #85: key-EXTERNAL-2 ................... Passed 0.31 sec test 106 Start 106: key-PM6-DH2X 106: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DH2X.mop" 106: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 106: Test timeout computed to be: 10000000 -98: -98: -98: MOPAC Job: "PECI.mop" ended normally on May 12, 2024, at 22:29. -98: -97: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -101: -101: -101: MOPAC Job: "PM6-D3.mop" ended normally on May 12, 2024, at 22:29. -101: - 87/123 Test #99: key-PM3 .......................... Passed 1.17 sec + 60/123 Test #84: key-EXTERNAL ..................... Passed 0.33 sec test 107 Start 107: key-PM7 107: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM7.mop" 107: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 107: Test timeout computed to be: 10000000 -98: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -98: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -102: -102: -102: MOPAC Job: "PM6-D3H4.mop" ended normally on May 12, 2024, at 22:29. -102: -101: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -101: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 88/123 Test #97: key-OPEN ......................... Passed 1.47 sec +93: +93: +93: MOPAC Job: "NOANCI.mop" ended normally on Jun 16, 2025, at 06:57. +93: + 61/123 Test #14: add-h3 ........................... Passed 1.11 sec test 108 Start 108: key-PM7-TS 108: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "PM7-TS.mop" 108: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 108: Test timeout computed to be: 10000000 -104: -104: -104: MOPAC Job: "PM6-DHplus.mop" ended normally on May 12, 2024, at 22:29. -104: -103: -103: -103: MOPAC Job: "PM6-D3H4X.mop" ended normally on May 12, 2024, at 22:29. -103: -104: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -104: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -102: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -102: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 89/123 Test #101: key-PM6-D3 ....................... Passed 1.07 sec +95: +95: +95: MOPAC Job: "NOSYM.mop" ended normally on Jun 16, 2025, at 06:57. +95: + 62/123 Test #88: key-MECI ......................... Passed 0.31 sec test 109 Start 109: key-QUARTET 109: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "QUARTET.mop" 109: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 109: Test timeout computed to be: 10000000 -103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 90/123 Test #98: key-PECI ......................... Passed 1.50 sec + 63/123 Test #83: key-DOUBLET ...................... Passed 0.37 sec test 110 Start 110: key-QUINTET 110: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "QUINTET.mop" 110: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 110: Test timeout computed to be: 10000000 - 91/123 Test #104: key-PM6-DHplus ................... Passed 0.81 sec +92: +92: +92: MOPAC Job: "MS.mop" ended normally on Jun 16, 2025, at 06:57. +92: +93: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +93: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 64/123 Test #86: key-INDO ......................... Passed 0.34 sec + 65/123 Test #87: key-MAXCI ........................ Passed 0.33 sec test 111 Start 111: key-RHF 111: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "RHF.mop" 111: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 111: Test timeout computed to be: 10000000 - 92/123 Test #103: key-PM6-D3H4X .................... Passed 0.88 sec test 112 Start 112: key-RM1 112: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "RM1.mop" 112: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 112: Test timeout computed to be: 10000000 -105: -105: -105: MOPAC Job: "PM6-DH2.mop" ended normally on May 12, 2024, at 22:29. -105: -105: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -105: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -106: -106: -106: MOPAC Job: "PM6-DH2X.mop" ended normally on May 12, 2024, at 22:29. -106: - 93/123 Test #102: key-PM6-D3H4 ..................... Passed 1.18 sec +98: +98: +98: MOPAC Job: "PECI.mop" ended normally on Jun 16, 2025, at 06:57. +98: +3: Mon Jun 16 06:57:54 2025 Job: 'test_Lewis_for_Proteins' started successfully + 66/123 Test #90: key-MNDOD ........................ Passed 0.31 sec test 113 Start 113: key-ROOT 113: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "ROOT.mop" 113: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 113: Test timeout computed to be: 10000000 -106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 94/123 Test #105: key-PM6-DH2 ...................... Passed 0.93 sec + 67/123 Test #82: key-DISP ......................... Passed 0.40 sec + 68/123 Test #89: key-MNDO ......................... Passed 0.33 sec test 114 Start 114: key-SEPTET 114: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SEPTET.mop" 114: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 114: Test timeout computed to be: 10000000 - 95/123 Test #106: key-PM6-DH2X ..................... Passed 0.76 sec test 115 Start 115: key-SEXTET 115: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SEXTET.mop" 115: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 115: Test timeout computed to be: 10000000 -107: -107: -107: MOPAC Job: "PM7.mop" ended normally on May 12, 2024, at 22:29. -107: -107: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -107: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -111: -111: -111: MOPAC Job: "RHF.mop" ended normally on May 12, 2024, at 22:29. -111: -111: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -111: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac - 96/123 Test #107: key-PM7 .......................... Passed 0.88 sec +95: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: +96: +96: MOPAC Job: "OCTET.mop" ended normally on Jun 16, 2025, at 06:57. +96: +94: +94: +94: MOPAC Job: "NONET.mop" ended normally on Jun 16, 2025, at 06:57. +94: +99: +99: +99: MOPAC Job: "PM3.mop" ended normally on Jun 16, 2025, at 06:57. +99: + 69/123 Test #93: key-NOANCI ....................... Passed 0.33 sec test 116 Start 116: key-SINGLET 116: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SINGLET.mop" 116: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 116: Test timeout computed to be: 10000000 -109: -109: -109: MOPAC Job: "QUARTET.mop" ended normally on May 12, 2024, at 22:29. -109: - 97/123 Test #111: key-RHF .......................... Passed 0.69 sec +24: Mon Jun 16 06:57:54 2025 Job: 'SALT' started successfully +15: Mon Jun 16 06:57:54 2025 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully +99: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 70/123 Test #95: key-NOSYM ........................ Passed 0.35 sec test 117 Start 117: key-SNAP 117: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SNAP.mop" 117: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 117: Test timeout computed to be: 10000000 -108: -108: -108: MOPAC Job: "PM7-TS.mop" ended normally on May 12, 2024, at 22:29. -108: -108: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -108: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -112: -112: -112: MOPAC Job: "RM1.mop" ended normally on May 12, 2024, at 22:29. -112: -112: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: -110: -110: MOPAC Job: "QUINTET.mop" ended normally on May 12, 2024, at 22:29. -110: -114: -114: -114: MOPAC Job: "SEPTET.mop" ended normally on May 12, 2024, at 22:29. -114: - 98/123 Test #108: key-PM7-TS ....................... Passed 1.18 sec +98: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +98: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +98: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +98: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +91: +91: +91: MOPAC Job: "MRCI.mop" ended normally on Jun 16, 2025, at 06:57. +91: +101: +101: +101: MOPAC Job: "PM6-D3.mop" ended normally on Jun 16, 2025, at 06:57. +101: +94: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +94: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +103: +103: +103: MOPAC Job: "PM6-D3H4X.mop" ended normally on Jun 16, 2025, at 06:57. +103: + 71/123 Test #92: key-MS ........................... Passed 0.39 sec test 118 Start 118: key-SYMMETRY 118: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "SYMMETRY.mop" 118: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 118: Test timeout computed to be: 10000000 - 99/123 Test #109: key-QUARTET ...................... Passed 1.16 sec + 72/123 Test #99: key-PM3 .......................... Passed 0.30 sec test 119 Start 119: key-TDIP 119: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "TDIP.mop" 119: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 119: Test timeout computed to be: 10000000 -100/123 Test #112: key-RM1 .......................... Passed 1.03 sec +26: Mon Jun 16 06:57:54 2025 Job: 'SITE_Individual_residues' started successfully +102: +102: +102: MOPAC Job: "PM6-D3H4.mop" ended normally on Jun 16, 2025, at 06:57. +102: +100: +100: +100: MOPAC Job: "PM6.mop" ended normally on Jun 16, 2025, at 06:57. +100: +97: +97: +97: MOPAC Job: "OPEN.mop" ended normally on Jun 16, 2025, at 06:57. +97: + 73/123 Test #96: key-OCTET ........................ Passed 0.41 sec test 120 Start 120: key-TRIPLET 120: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "TRIPLET.mop" 120: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 120: Test timeout computed to be: 10000000 -110: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: -115: -115: MOPAC Job: "SEXTET.mop" ended normally on May 12, 2024, at 22:29. -115: -114: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -114: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -114: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44236 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -114: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -114: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44236 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -101/123 Test #114: key-SEPTET ....................... Passed 1.04 sec + 74/123 Test #94: key-NONET ........................ Passed 0.42 sec test 121 Start 121: key-UHF 121: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "UHF.mop" 121: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 121: Test timeout computed to be: 10000000 -102/123 Test #110: key-QUINTET ...................... Passed 1.39 sec +16: Mon Jun 16 06:57:54 2025 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully +104: +104: +104: MOPAC Job: "PM6-DHplus.mop" ended normally on Jun 16, 2025, at 06:57. +104: +102: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +102: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +101: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +101: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +100: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +100: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +105: +105: +105: MOPAC Job: "PM6-DH2.mop" ended normally on Jun 16, 2025, at 06:57. +105: + 75/123 Test #98: key-PECI ......................... Passed 0.42 sec test 122 Start 122: key-WRTCI 122: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCI.mop" 122: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 122: Test timeout computed to be: 10000000 -115: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5657.19815 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.2028 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1352.1869 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.18802 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -115: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -117: -117: -117: MOPAC Job: "SNAP.mop" ended normally on May 12, 2024, at 22:29. -117: -103/123 Test #115: key-SEXTET ....................... Passed 1.21 sec +107: +107: +107: MOPAC Job: "PM7.mop" ended normally on Jun 16, 2025, at 06:57. +107: + 76/123 Test #102: key-PM6-D3H4 ..................... Passed 0.37 sec test 123 Start 123: key-WRTCONF 123: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests/keywords" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCONF.mop" 123: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests/keywords 123: Test timeout computed to be: 10000000 +107: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +107: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +104: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +105: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +105: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +106: +106: +106: MOPAC Job: "PM6-DH2X.mop" ended normally on Jun 16, 2025, at 06:57. +106: + 77/123 Test #100: key-PM6 .......................... Passed 0.40 sec +15: +15: +15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Jun 16, 2025, at 06:57. +15: +106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 78/123 Test #103: key-PM6-D3H4X .................... Passed 0.36 sec + 79/123 Test #107: key-PM7 .......................... Passed 0.26 sec +109: +109: +109: MOPAC Job: "QUARTET.mop" ended normally on Jun 16, 2025, at 06:57. +109: +108: +108: +108: MOPAC Job: "PM7-TS.mop" ended normally on Jun 16, 2025, at 06:57. +108: +108: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +108: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 80/123 Test #104: key-PM6-DHplus ................... Passed 0.34 sec +112: +112: +112: MOPAC Job: "RM1.mop" ended normally on Jun 16, 2025, at 06:57. +112: + 81/123 Test #105: key-PM6-DH2 ...................... Passed 0.33 sec + 82/123 Test #91: key-MRCI ......................... Passed 0.56 sec +111: +111: +111: MOPAC Job: "RHF.mop" ended normally on Jun 16, 2025, at 06:57. +111: +112: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 83/123 Test #101: key-PM6-D3 ....................... Passed 0.44 sec +110: +110: +110: MOPAC Job: "QUINTET.mop" ended normally on Jun 16, 2025, at 06:57. +110: + 84/123 Test #106: key-PM6-DH2X ..................... Passed 0.30 sec +97: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +111: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +74: +74: +74: MOPAC Job: "BIRADICAL.mop" ended normally on Jun 16, 2025, at 06:57. +74: +109: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 116: 116: -116: MOPAC Job: "SINGLET.mop" ended normally on May 12, 2024, at 22:29. +116: MOPAC Job: "SINGLET.mop" ended normally on Jun 16, 2025, at 06:57. 116: + 85/123 Test #108: key-PM7-TS ....................... Passed 0.31 sec +16: +16: +16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Jun 16, 2025, at 06:57. +16: + 86/123 Test #15: compare_add-h .................... Passed 0.51 sec + 87/123 Test #112: key-RM1 .......................... Passed 0.29 sec +116: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +116: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +74: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +74: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +74: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +74: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2949.30106 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2949.30352 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 708.35733 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 88/123 Test #97: key-OPEN ......................... Passed 0.56 sec +117: +117: +117: MOPAC Job: "SNAP.mop" ended normally on Jun 16, 2025, at 06:57. +117: +114: +114: +114: MOPAC Job: "SEPTET.mop" ended normally on Jun 16, 2025, at 06:57. +114: + 89/123 Test #111: key-RHF .......................... Passed 0.33 sec + 90/123 Test #109: key-QUARTET ...................... Passed 0.35 sec 117: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 117: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 117: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 117: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 117: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 117: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -116: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -116: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: -118: -118: MOPAC Job: "SYMMETRY.mop" ended normally on May 12, 2024, at 22:29. -118: 119: 119: -119: MOPAC Job: "TDIP.mop" ended normally on May 12, 2024, at 22:29. +119: MOPAC Job: "TDIP.mop" ended normally on Jun 16, 2025, at 06:57. 119: -104/123 Test #117: key-SNAP ......................... Passed 1.06 sec -105/123 Test #116: key-SINGLET ...................... Passed 1.24 sec -118: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between 57.97116 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 57.9693 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between -84.51541 on reference line 469 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between -353.61248 on reference line 469 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between 67.02171 on reference line 637 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 67.02152 on output line 637 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -75: -75: -75: MOPAC Job: "CdotAdotSdot.mop" ended normally on May 12, 2024, at 22:29. -75: -106/123 Test #119: key-TDIP ......................... Passed 0.93 sec + 91/123 Test #110: key-QUINTET ...................... Passed 0.36 sec + 92/123 Test #74: key-BIRADICAL .................... Passed 0.96 sec + 93/123 Test #116: key-SINGLET ...................... Passed 0.31 sec +114: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +114: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +114: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44236 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +114: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +114: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5431.44236 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 94/123 Test #16: pdb_compare ...................... Passed 0.55 sec +115: +115: +115: MOPAC Job: "SEXTET.mop" ended normally on Jun 16, 2025, at 06:57. +115: 120: 120: -120: MOPAC Job: "TRIPLET.mop" ended normally on May 12, 2024, at 22:29. +120: MOPAC Job: "TRIPLET.mop" ended normally on Jun 16, 2025, at 06:57. 120: -107/123 Test #118: key-SYMMETRY ..................... Passed 1.01 sec -122: -122: -122: MOPAC Job: "WRTCI.mop" ended normally on May 12, 2024, at 22:29. -122: +121: +121: +121: MOPAC Job: "UHF.mop" ended normally on Jun 16, 2025, at 06:57. +121: + 95/123 Test #117: key-SNAP ......................... Passed 0.31 sec +121: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +121: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +121: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac + 96/123 Test #114: key-SEPTET ....................... Passed 0.37 sec + 97/123 Test #119: key-TDIP ......................... Passed 0.28 sec +115: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5657.19815 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.2028 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1352.1869 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.18802 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +115: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 120: WARNING: numerical heat mismatch between 93.14412 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 93.14423 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 120: WARNING: numerical mismatch between 389.71498 on reference line 73 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 389.71545 on output line 73 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 120: WARNING: numerical heat mismatch between 93.14412 on reference line 222 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 93.14423 on output line 222 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac @@ -3446,451 +3397,411 @@ 120: WARNING: numerical mismatch between 393.55788 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 393.55834 on output line 374 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 120: WARNING: numerical heat mismatch between 94.06259 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 94.0627 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 120: WARNING: numerical mismatch between 393.55788 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 393.55834 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -121: -121: -121: MOPAC Job: "UHF.mop" ended normally on May 12, 2024, at 22:29. -121: -121: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -121: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -121: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -108/123 Test #122: key-WRTCI ........................ Passed 0.95 sec -109/123 Test #121: key-UHF .......................... Passed 1.07 sec -110/123 Test #120: key-TRIPLET ...................... Passed 1.31 sec +118: +118: +118: MOPAC Job: "SYMMETRY.mop" ended normally on Jun 16, 2025, at 06:57. +118: + 98/123 Test #121: key-UHF .......................... Passed 0.26 sec +122: +122: +122: MOPAC Job: "WRTCI.mop" ended normally on Jun 16, 2025, at 06:57. +122: + 99/123 Test #115: key-SEXTET ....................... Passed 0.41 sec +100/123 Test #120: key-TRIPLET ...................... Passed 0.30 sec +118: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between 57.97116 on reference line 293 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 57.9693 on output line 293 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -84.51541 on reference line 469 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -84.51572 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between -353.61248 on reference line 469 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -353.61376 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between 67.02171 on reference line 637 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 67.02152 on output line 637 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +24: +24: +24: MOPAC Job: "SALT.mop" ended normally on Jun 16, 2025, at 06:57. +24: 123: 123: -123: MOPAC Job: "WRTCONF.mop" ended normally on May 12, 2024, at 22:29. +123: MOPAC Job: "WRTCONF.mop" ended normally on Jun 16, 2025, at 06:57. 123: -111/123 Test #75: key-CdotAdotSdot ................. Passed 7.18 sec -112/123 Test #123: key-WRTCONF ...................... Passed 1.28 sec +101/123 Test #118: key-SYMMETRY ..................... Passed 0.36 sec +102/123 Test #122: key-WRTCI ........................ Passed 0.29 sec +103/123 Test #24: salt ............................. Passed 0.75 sec +104/123 Test #123: key-WRTCONF ...................... Passed 0.29 sec +105/123 Test #13: add-h2 ........................... Passed 1.73 sec +106/123 Test #12: add-h ............................ Passed 1.90 sec +test 17 + Start 17: pdb_compare2 + +17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" +17: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +17: Test timeout computed to be: 10000000 +test 18 + Start 18: pdb_compare3 + +18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" +18: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +18: Test timeout computed to be: 10000000 +test 19 + Start 19: pdb_compare4 + +19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" +19: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +19: Test timeout computed to be: 10000000 +test 20 + Start 20: pdb_compare5 + +20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" +20: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +20: Test timeout computed to be: 10000000 +test 21 + Start 21: pdb_compare6 + +21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-22.1.1/tests/run_test.py" "/build/reproducible-path/mopac-22.1.1/tests" "/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" +21: Working Directory: /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/tests +21: Test timeout computed to be: 10000000 +26: +26: +26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Jun 16, 2025, at 06:57. +26: +107/123 Test #26: residues ......................... Passed 1.11 sec +75: +75: +75: MOPAC Job: "CdotAdotSdot.mop" ended normally on Jun 16, 2025, at 06:57. +75: +17: Mon Jun 16 06:57:54 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully +19: Mon Jun 16 06:57:54 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully +20: Mon Jun 16 06:57:54 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully +18: Mon Jun 16 06:57:54 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully +21: Mon Jun 16 06:57:54 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully +108/123 Test #75: key-CdotAdotSdot ................. Passed 1.58 sec 58: 58: -58: MOPAC Job: "poly_c8.mop" ended normally on May 12, 2024, at 22:29. +58: MOPAC Job: "poly_c8.mop" ended normally on Jun 16, 2025, at 06:57. 58: -113/123 Test #58: poly_c8 .......................... Passed 12.67 sec -31: -31: -31: MOPAC Job: "ag20_cis_active.mop" ended normally on May 12, 2024, at 22:30. -31: -114/123 Test #31: ag20_cis_active .................. Passed 19.09 sec -21: -21: -21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on May 12, 2024, at 22:30. -21: -115/123 Test #21: pdb_compare6 ..................... Passed 15.10 sec +19: +19: +19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Jun 16, 2025, at 06:57. +19: +109/123 Test #58: poly_c8 .......................... Passed 1.97 sec +110/123 Test #19: pdb_compare4 ..................... Passed 0.62 sec +18: +18: +18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Jun 16, 2025, at 06:57. +18: +17: +17: +17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Jun 16, 2025, at 06:57. +17: +111/123 Test #18: pdb_compare3 ..................... Passed 0.71 sec +112/123 Test #17: pdb_compare2 ..................... Passed 0.73 sec +20: +20: +20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Jun 16, 2025, at 06:57. +20: +113/123 Test #20: pdb_compare5 ..................... Passed 0.88 sec 81: 81: -81: MOPAC Job: "CISDT.mop" ended normally on May 12, 2024, at 22:30. +81: MOPAC Job: "CISDT.mop" ended normally on Jun 16, 2025, at 06:57. 81: +31: +31: +31: MOPAC Job: "ag20_cis_active.mop" ended normally on Jun 16, 2025, at 06:57. +31: +114/123 Test #31: ag20_cis_active .................. Passed 4.07 sec 81: WARNING: numerical heat mismatch between 6.52314 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 6.52269 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 81: WARNING: numerical mismatch between 27.29281 on reference line 78 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 27.29093 on output line 78 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 81: WARNING: numerical heat mismatch between 6.58382 on reference line 1857 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 6.58337 on output line 1857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 81: WARNING: numerical mismatch between 27.54671 on reference line 1857 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 27.54483 on output line 1857 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -116/123 Test #81: key-CISDT ........................ Passed 13.77 sec +115/123 Test #81: key-CISDT ........................ Passed 3.40 sec +21: +21: +21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Jun 16, 2025, at 06:57. +21: +116/123 Test #21: pdb_compare6 ..................... Passed 2.45 sec 28: 28: -28: MOPAC Job: "erratic2.mop" ended normally on May 12, 2024, at 22:30. +28: MOPAC Job: "erratic2.mop" ended normally on Jun 16, 2025, at 06:57. 28: -117/123 Test #28: erratic-2 ........................ Passed 27.47 sec -59: -59: -59: MOPAC Job: "poly_c8_mr.mop" ended normally on May 12, 2024, at 22:30. -59: +117/123 Test #28: erratic-2 ........................ Passed 5.19 sec 27: 27: -27: MOPAC Job: "erratic1.mop" ended normally on May 12, 2024, at 22:30. +27: MOPAC Job: "erratic1.mop" ended normally on Jun 16, 2025, at 06:57. 27: -118/123 Test #59: poly_c8_mr ....................... Passed 28.58 sec -27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-22.1.1/tests and -167.6784 on output line 381 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-22.1.1/tests and -701.56642 on output line 381 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-22.1.1/tests and -62312.35797 on output line 383 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -160.75863 on reference line 364 in /build/reproducible-path/mopac-22.1.1/tests and -160.76877 on output line 385 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.57884 on reference line 365 in /build/reproducible-path/mopac-22.1.1/tests and -5.57823 on output line 386 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.32459 on reference line 366 in /build/reproducible-path/mopac-22.1.1/tests and -1.3314 on output line 387 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -167.66206 on reference line 367 in /build/reproducible-path/mopac-22.1.1/tests and -167.6784 on output line 388 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.11915 on reference line 372 in /build/reproducible-path/mopac-22.1.1/tests and -2702.11959 on output line 393 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -16549.96563 on reference line 373 in /build/reproducible-path/mopac-22.1.1/tests and -16547.90354 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13847.84648 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests and 13845.78396 on output line 395 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 230.06 on reference line 375 in /build/reproducible-path/mopac-22.1.1/tests and 230.25 on output line 396 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 254.54 on reference line 376 in /build/reproducible-path/mopac-22.1.1/tests and 254.71 on output line 397 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 8.208041 on reference line 379 in /build/reproducible-path/mopac-22.1.1/tests and 8.208875 on output line 400 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -8.208 on reference line 380 in /build/reproducible-path/mopac-22.1.1/tests and -8.209 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.59953271 on reference line 403 in /build/reproducible-path/mopac-22.1.1/tests and -2.60397233 on output line 424 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.77575526 on reference line 403 in /build/reproducible-path/mopac-22.1.1/tests and -2.77250019 on output line 424 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.41403348 on reference line 403 in /build/reproducible-path/mopac-22.1.1/tests and -0.41115124 on output line 424 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.87686704 on reference line 404 in /build/reproducible-path/mopac-22.1.1/tests and -1.87301392 on output line 425 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.57709686 on reference line 404 in /build/reproducible-path/mopac-22.1.1/tests and -1.57858646 on output line 425 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.11334803 on reference line 404 in /build/reproducible-path/mopac-22.1.1/tests and 0.11531014 on output line 425 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.5710808 on reference line 405 in /build/reproducible-path/mopac-22.1.1/tests and -1.57094221 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.40333884 on reference line 405 in /build/reproducible-path/mopac-22.1.1/tests and -1.40225327 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.27574228 on reference line 405 in /build/reproducible-path/mopac-22.1.1/tests and 1.27823479 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.60327578 on reference line 406 in /build/reproducible-path/mopac-22.1.1/tests and -1.59193266 on output line 427 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.71421711 on reference line 406 in /build/reproducible-path/mopac-22.1.1/tests and -0.7197952 on output line 427 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.85842567 on reference line 406 in /build/reproducible-path/mopac-22.1.1/tests and -0.85813246 on output line 427 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.89666343 on reference line 407 in /build/reproducible-path/mopac-22.1.1/tests and -0.89264762 on output line 428 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54570105 on reference line 407 in /build/reproducible-path/mopac-22.1.1/tests and 0.54408219 on output line 428 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.52366121 on reference line 407 in /build/reproducible-path/mopac-22.1.1/tests and -0.52256703 on output line 428 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.39949204 on reference line 408 in /build/reproducible-path/mopac-22.1.1/tests and -1.40290593 on output line 429 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.43423735 on reference line 408 in /build/reproducible-path/mopac-22.1.1/tests and 1.43223184 on output line 429 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.68105693 on reference line 408 in /build/reproducible-path/mopac-22.1.1/tests and -1.67681965 on output line 429 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.00548105 on reference line 409 in /build/reproducible-path/mopac-22.1.1/tests and -1.01891686 on output line 430 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.87491828 on reference line 409 in /build/reproducible-path/mopac-22.1.1/tests and 2.87518937 on output line 430 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.49999724 on reference line 409 in /build/reproducible-path/mopac-22.1.1/tests and -1.49222152 on output line 430 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.27371739 on reference line 410 in /build/reproducible-path/mopac-22.1.1/tests and 0.25703412 on output line 431 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.11422137 on reference line 410 in /build/reproducible-path/mopac-22.1.1/tests and 3.12260813 on output line 431 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.13548835 on reference line 410 in /build/reproducible-path/mopac-22.1.1/tests and -1.12197432 on output line 431 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.73362283 on reference line 411 in /build/reproducible-path/mopac-22.1.1/tests and -1.75268494 on output line 432 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.81609528 on reference line 411 in /build/reproducible-path/mopac-22.1.1/tests and 3.81166949 on output line 432 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.67831486 on reference line 411 in /build/reproducible-path/mopac-22.1.1/tests and -1.67224615 on output line 432 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.5358667 on reference line 412 in /build/reproducible-path/mopac-22.1.1/tests and 0.540869 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.35294005 on reference line 412 in /build/reproducible-path/mopac-22.1.1/tests and 0.35957966 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.54430006 on reference line 412 in /build/reproducible-path/mopac-22.1.1/tests and -0.5472533 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.33584851 on reference line 413 in /build/reproducible-path/mopac-22.1.1/tests and 1.34306828 on output line 434 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.10823064 on reference line 413 in /build/reproducible-path/mopac-22.1.1/tests and 0.10793829 on output line 434 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.61785947 on reference line 413 in /build/reproducible-path/mopac-22.1.1/tests and 0.61192701 on output line 434 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.57486784 on reference line 414 in /build/reproducible-path/mopac-22.1.1/tests and 1.57959948 on output line 435 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.37112909 on reference line 414 in /build/reproducible-path/mopac-22.1.1/tests and -1.37284071 on output line 435 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81847858 on reference line 414 in /build/reproducible-path/mopac-22.1.1/tests and 0.80479277 on output line 435 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.68336068 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and 2.69118723 on output line 436 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76935628 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and 0.76767726 on output line 436 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.4261294 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and 0.4204266 on output line 436 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.73060349 on reference line 416 in /build/reproducible-path/mopac-22.1.1/tests and 0.74119919 on output line 437 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.661907 on reference line 416 in /build/reproducible-path/mopac-22.1.1/tests and 0.65667483 on output line 437 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.877465 on reference line 416 in /build/reproducible-path/mopac-22.1.1/tests and 1.87532735 on output line 437 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.83813135 on reference line 417 in /build/reproducible-path/mopac-22.1.1/tests and -2.51817269 on output line 438 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.68231128 on reference line 417 in /build/reproducible-path/mopac-22.1.1/tests and -2.86418778 on output line 438 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48424696 on reference line 417 in /build/reproducible-path/mopac-22.1.1/tests and -1.50417884 on output line 438 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.99139435 on reference line 418 in /build/reproducible-path/mopac-22.1.1/tests and -2.22280371 on output line 439 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.68192697 on reference line 418 in /build/reproducible-path/mopac-22.1.1/tests and -3.69633058 on output line 439 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.28044258 on reference line 418 in /build/reproducible-path/mopac-22.1.1/tests and 0.04670822 on output line 439 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.54098093 on reference line 419 in /build/reproducible-path/mopac-22.1.1/tests and -3.67513299 on output line 440 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.92814342 on reference line 419 in /build/reproducible-path/mopac-22.1.1/tests and -2.70107936 on output line 440 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.13597889 on reference line 419 in /build/reproducible-path/mopac-22.1.1/tests and -0.16488962 on output line 440 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.32611074 on reference line 420 in /build/reproducible-path/mopac-22.1.1/tests and -1.32131995 on output line 441 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.88447283 on reference line 420 in /build/reproducible-path/mopac-22.1.1/tests and 0.87873286 on output line 441 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.44505802 on reference line 420 in /build/reproducible-path/mopac-22.1.1/tests and 0.44796401 on output line 441 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.00536182 on reference line 421 in /build/reproducible-path/mopac-22.1.1/tests and -1.0072564 on output line 442 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.05545018 on reference line 421 in /build/reproducible-path/mopac-22.1.1/tests and 1.05906484 on output line 442 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.6473519 on reference line 421 in /build/reproducible-path/mopac-22.1.1/tests and -2.64469663 on output line 442 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.50472859 on reference line 422 in /build/reproducible-path/mopac-22.1.1/tests and -2.50760065 on output line 443 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.35261396 on reference line 422 in /build/reproducible-path/mopac-22.1.1/tests and 1.34296481 on output line 443 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.76714801 on reference line 422 in /build/reproducible-path/mopac-22.1.1/tests and -1.76217993 on output line 443 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.98517326 on reference line 423 in /build/reproducible-path/mopac-22.1.1/tests and 0.99029214 on output line 444 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.07758771 on reference line 423 in /build/reproducible-path/mopac-22.1.1/tests and 0.09397473 on output line 444 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48015972 on reference line 423 in /build/reproducible-path/mopac-22.1.1/tests and -1.48587149 on output line 444 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.79430531 on reference line 424 in /build/reproducible-path/mopac-22.1.1/tests and 0.78352829 on output line 445 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.2693865 on reference line 424 in /build/reproducible-path/mopac-22.1.1/tests and 2.28112876 on output line 445 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.9369799 on reference line 424 in /build/reproducible-path/mopac-22.1.1/tests and -0.92463633 on output line 445 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.25653234 on reference line 425 in /build/reproducible-path/mopac-22.1.1/tests and 2.26288347 on output line 446 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.56734258 on reference line 425 in /build/reproducible-path/mopac-22.1.1/tests and -1.57458691 on output line 446 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.65451787 on reference line 425 in /build/reproducible-path/mopac-22.1.1/tests and 1.6381401 on output line 446 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.6120327 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests and 0.61619301 on output line 447 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.87739345 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests and -1.87823329 on output line 447 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.02629055 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests and 1.01204017 on output line 447 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.98131316 on reference line 427 in /build/reproducible-path/mopac-22.1.1/tests and 1.98269019 on output line 448 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.81923007 on reference line 427 in /build/reproducible-path/mopac-22.1.1/tests and -1.81728335 on output line 448 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.10064983 on reference line 427 in /build/reproducible-path/mopac-22.1.1/tests and -0.11764015 on output line 448 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.34816329 on reference line 428 in /build/reproducible-path/mopac-22.1.1/tests and 3.35698278 on output line 449 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.58505225 on reference line 428 in /build/reproducible-path/mopac-22.1.1/tests and 0.5794681 on output line 449 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.28076405 on reference line 428 in /build/reproducible-path/mopac-22.1.1/tests and 1.27344928 on output line 449 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.16963 on reference line 429 in /build/reproducible-path/mopac-22.1.1/tests and 3.17562749 on output line 450 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.3926988 on reference line 429 in /build/reproducible-path/mopac-22.1.1/tests and 0.39339331 on output line 450 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.48857036 on reference line 429 in /build/reproducible-path/mopac-22.1.1/tests and -0.49623256 on output line 450 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.55662468 on reference line 430 in /build/reproducible-path/mopac-22.1.1/tests and 2.56585161 on output line 451 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.85992671 on reference line 430 in /build/reproducible-path/mopac-22.1.1/tests and 1.85878679 on output line 451 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.30372863 on reference line 430 in /build/reproducible-path/mopac-22.1.1/tests and 0.30179438 on output line 451 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.49054429 on reference line 431 in /build/reproducible-path/mopac-22.1.1/tests and 0.50129927 on output line 452 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.73219412 on reference line 431 in /build/reproducible-path/mopac-22.1.1/tests and 1.7275492 on output line 452 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.75442162 on reference line 431 in /build/reproducible-path/mopac-22.1.1/tests and 1.75723993 on output line 452 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.21695551 on reference line 432 in /build/reproducible-path/mopac-22.1.1/tests and -0.20611008 on output line 453 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.130312 on reference line 432 in /build/reproducible-path/mopac-22.1.1/tests and 0.1246956 on output line 453 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.11828049 on reference line 432 in /build/reproducible-path/mopac-22.1.1/tests and 2.11629546 on output line 453 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.40601706 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 1.41860933 on output line 454 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54294822 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 0.53377291 on output line 454 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.7354817 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 2.73119615 on output line 454 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.599532711 on reference line 437 in /build/reproducible-path/mopac-22.1.1/tests and -2.603972335 on output line 458 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.775755262 on reference line 437 in /build/reproducible-path/mopac-22.1.1/tests and -2.772500191 on output line 458 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.414033476 on reference line 437 in /build/reproducible-path/mopac-22.1.1/tests and -0.411151238 on output line 458 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.876867044 on reference line 438 in /build/reproducible-path/mopac-22.1.1/tests and -1.87301392 on output line 459 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.577096858 on reference line 438 in /build/reproducible-path/mopac-22.1.1/tests and -1.57858646 on output line 459 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.113348029 on reference line 438 in /build/reproducible-path/mopac-22.1.1/tests and 0.115310144 on output line 459 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.571080805 on reference line 439 in /build/reproducible-path/mopac-22.1.1/tests and -1.570942208 on output line 460 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.403338838 on reference line 439 in /build/reproducible-path/mopac-22.1.1/tests and -1.402253274 on output line 460 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.275742279 on reference line 439 in /build/reproducible-path/mopac-22.1.1/tests and 1.278234789 on output line 460 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.603275776 on reference line 440 in /build/reproducible-path/mopac-22.1.1/tests and -1.591932657 on output line 461 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.714217106 on reference line 440 in /build/reproducible-path/mopac-22.1.1/tests and -0.719795202 on output line 461 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.858425666 on reference line 440 in /build/reproducible-path/mopac-22.1.1/tests and -0.858132458 on output line 461 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.896663428 on reference line 441 in /build/reproducible-path/mopac-22.1.1/tests and -0.892647618 on output line 462 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.545701046 on reference line 441 in /build/reproducible-path/mopac-22.1.1/tests and 0.544082193 on output line 462 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.523661208 on reference line 441 in /build/reproducible-path/mopac-22.1.1/tests and -0.522567028 on output line 462 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.399492042 on reference line 442 in /build/reproducible-path/mopac-22.1.1/tests and -1.402905934 on output line 463 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.434237348 on reference line 442 in /build/reproducible-path/mopac-22.1.1/tests and 1.432231837 on output line 463 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.68105693 on reference line 442 in /build/reproducible-path/mopac-22.1.1/tests and -1.676819646 on output line 463 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.005481052 on reference line 443 in /build/reproducible-path/mopac-22.1.1/tests and -1.018916856 on output line 464 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.874918282 on reference line 443 in /build/reproducible-path/mopac-22.1.1/tests and 2.875189366 on output line 464 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.499997236 on reference line 443 in /build/reproducible-path/mopac-22.1.1/tests and -1.492221525 on output line 464 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.273717388 on reference line 444 in /build/reproducible-path/mopac-22.1.1/tests and 0.257034123 on output line 465 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.114221371 on reference line 444 in /build/reproducible-path/mopac-22.1.1/tests and 3.12260813 on output line 465 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.135488352 on reference line 444 in /build/reproducible-path/mopac-22.1.1/tests and -1.121974319 on output line 465 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.733622831 on reference line 445 in /build/reproducible-path/mopac-22.1.1/tests and -1.752684942 on output line 466 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.816095283 on reference line 445 in /build/reproducible-path/mopac-22.1.1/tests and 3.811669487 on output line 466 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.678314861 on reference line 445 in /build/reproducible-path/mopac-22.1.1/tests and -1.672246145 on output line 466 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.535866704 on reference line 446 in /build/reproducible-path/mopac-22.1.1/tests and 0.540869001 on output line 467 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.35294005 on reference line 446 in /build/reproducible-path/mopac-22.1.1/tests and 0.359579656 on output line 467 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.544300056 on reference line 446 in /build/reproducible-path/mopac-22.1.1/tests and -0.547253304 on output line 467 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.335848505 on reference line 447 in /build/reproducible-path/mopac-22.1.1/tests and 1.34306828 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.108230641 on reference line 447 in /build/reproducible-path/mopac-22.1.1/tests and 0.107938291 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.617859472 on reference line 447 in /build/reproducible-path/mopac-22.1.1/tests and 0.611927007 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.574867837 on reference line 448 in /build/reproducible-path/mopac-22.1.1/tests and 1.579599477 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.371129093 on reference line 448 in /build/reproducible-path/mopac-22.1.1/tests and -1.372840709 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.818478582 on reference line 448 in /build/reproducible-path/mopac-22.1.1/tests and 0.804792772 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.683360684 on reference line 449 in /build/reproducible-path/mopac-22.1.1/tests and 2.691187226 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76935628 on reference line 449 in /build/reproducible-path/mopac-22.1.1/tests and 0.767677258 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.426129397 on reference line 449 in /build/reproducible-path/mopac-22.1.1/tests and 0.4204266 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.730603491 on reference line 450 in /build/reproducible-path/mopac-22.1.1/tests and 0.74119919 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.661906999 on reference line 450 in /build/reproducible-path/mopac-22.1.1/tests and 0.656674833 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.877464999 on reference line 450 in /build/reproducible-path/mopac-22.1.1/tests and 1.875327355 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.838131354 on reference line 451 in /build/reproducible-path/mopac-22.1.1/tests and -2.518172686 on output line 472 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.682311282 on reference line 451 in /build/reproducible-path/mopac-22.1.1/tests and -2.864187785 on output line 472 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.48424696 on reference line 451 in /build/reproducible-path/mopac-22.1.1/tests and -1.504178836 on output line 472 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.991394346 on reference line 452 in /build/reproducible-path/mopac-22.1.1/tests and -2.222803711 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.681926971 on reference line 452 in /build/reproducible-path/mopac-22.1.1/tests and -3.696330582 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.280442585 on reference line 452 in /build/reproducible-path/mopac-22.1.1/tests and 0.046708224 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -3.540980929 on reference line 453 in /build/reproducible-path/mopac-22.1.1/tests and -3.67513299 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.928143419 on reference line 453 in /build/reproducible-path/mopac-22.1.1/tests and -2.70107936 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.135978891 on reference line 453 in /build/reproducible-path/mopac-22.1.1/tests and -0.164889624 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.326110741 on reference line 454 in /build/reproducible-path/mopac-22.1.1/tests and -1.321319953 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.884472829 on reference line 454 in /build/reproducible-path/mopac-22.1.1/tests and 0.878732862 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.445058023 on reference line 454 in /build/reproducible-path/mopac-22.1.1/tests and 0.447964005 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.005361818 on reference line 455 in /build/reproducible-path/mopac-22.1.1/tests and -1.007256398 on output line 476 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.055450177 on reference line 455 in /build/reproducible-path/mopac-22.1.1/tests and 1.05906484 on output line 476 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.647351904 on reference line 455 in /build/reproducible-path/mopac-22.1.1/tests and -2.644696626 on output line 476 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2.50472859 on reference line 456 in /build/reproducible-path/mopac-22.1.1/tests and -2.507600652 on output line 477 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.35261396 on reference line 456 in /build/reproducible-path/mopac-22.1.1/tests and 1.342964815 on output line 477 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.767148015 on reference line 456 in /build/reproducible-path/mopac-22.1.1/tests and -1.762179929 on output line 477 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.985173262 on reference line 457 in /build/reproducible-path/mopac-22.1.1/tests and 0.99029214 on output line 478 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.077587708 on reference line 457 in /build/reproducible-path/mopac-22.1.1/tests and 0.093974733 on output line 478 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.480159718 on reference line 457 in /build/reproducible-path/mopac-22.1.1/tests and -1.485871487 on output line 478 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.79430531 on reference line 458 in /build/reproducible-path/mopac-22.1.1/tests and 0.783528288 on output line 479 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.269386496 on reference line 458 in /build/reproducible-path/mopac-22.1.1/tests and 2.281128762 on output line 479 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.936979899 on reference line 458 in /build/reproducible-path/mopac-22.1.1/tests and -0.924636328 on output line 479 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.256532345 on reference line 459 in /build/reproducible-path/mopac-22.1.1/tests and 2.262883468 on output line 480 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.567342575 on reference line 459 in /build/reproducible-path/mopac-22.1.1/tests and -1.574586906 on output line 480 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.654517874 on reference line 459 in /build/reproducible-path/mopac-22.1.1/tests and 1.638140105 on output line 480 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.612032697 on reference line 460 in /build/reproducible-path/mopac-22.1.1/tests and 0.616193011 on output line 481 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.877393446 on reference line 460 in /build/reproducible-path/mopac-22.1.1/tests and -1.878233287 on output line 481 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.026290549 on reference line 460 in /build/reproducible-path/mopac-22.1.1/tests and 1.012040172 on output line 481 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.981313156 on reference line 461 in /build/reproducible-path/mopac-22.1.1/tests and 1.982690191 on output line 482 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.819230069 on reference line 461 in /build/reproducible-path/mopac-22.1.1/tests and -1.817283349 on output line 482 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.100649828 on reference line 461 in /build/reproducible-path/mopac-22.1.1/tests and -0.11764015 on output line 482 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.348163288 on reference line 462 in /build/reproducible-path/mopac-22.1.1/tests and 3.356982782 on output line 483 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.585052253 on reference line 462 in /build/reproducible-path/mopac-22.1.1/tests and 0.579468097 on output line 483 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.280764055 on reference line 462 in /build/reproducible-path/mopac-22.1.1/tests and 1.273449279 on output line 483 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.169630004 on reference line 463 in /build/reproducible-path/mopac-22.1.1/tests and 3.175627494 on output line 484 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.392698797 on reference line 463 in /build/reproducible-path/mopac-22.1.1/tests and 0.393393308 on output line 484 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.488570355 on reference line 463 in /build/reproducible-path/mopac-22.1.1/tests and -0.496232562 on output line 484 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.55662468 on reference line 464 in /build/reproducible-path/mopac-22.1.1/tests and 2.565851606 on output line 485 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.859926715 on reference line 464 in /build/reproducible-path/mopac-22.1.1/tests and 1.858786786 on output line 485 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.303728634 on reference line 464 in /build/reproducible-path/mopac-22.1.1/tests and 0.301794385 on output line 485 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.490544291 on reference line 465 in /build/reproducible-path/mopac-22.1.1/tests and 0.501299267 on output line 486 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.732194119 on reference line 465 in /build/reproducible-path/mopac-22.1.1/tests and 1.727549196 on output line 486 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.754421617 on reference line 465 in /build/reproducible-path/mopac-22.1.1/tests and 1.757239934 on output line 486 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.216955506 on reference line 466 in /build/reproducible-path/mopac-22.1.1/tests and -0.206110076 on output line 487 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.130311996 on reference line 466 in /build/reproducible-path/mopac-22.1.1/tests and 0.124695604 on output line 487 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.118280491 on reference line 466 in /build/reproducible-path/mopac-22.1.1/tests and 2.116295457 on output line 487 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.40601706 on reference line 467 in /build/reproducible-path/mopac-22.1.1/tests and 1.418609327 on output line 488 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.54294822 on reference line 467 in /build/reproducible-path/mopac-22.1.1/tests and 0.533772912 on output line 488 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.735481703 on reference line 467 in /build/reproducible-path/mopac-22.1.1/tests and 2.731196152 on output line 488 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -37.75697 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -37.75811 on output line 499 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.86924 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -30.87065 on output line 499 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -30.67089 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -30.67002 on output line 499 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.6694 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -29.66857 on output line 499 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -29.29795 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -29.29654 on output line 499 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -27.58679 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -27.58728 on output line 499 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.77464 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -25.77663 on output line 499 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -25.61711 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -25.61628 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -24.55775 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -24.55716 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -22.91416 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -22.91302 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -20.80122 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -20.79736 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.85203 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -19.85275 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -19.56616 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -19.56988 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.92319 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -17.92031 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.56184 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -17.56362 on output line 500 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.4333 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -17.43272 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -17.11986 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -17.12333 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -16.24491 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -16.24355 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.92288 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -15.90797 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.667 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -15.67394 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -15.07691 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -15.07796 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.98423 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -14.98366 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.78592 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -14.78619 on output line 501 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.49058 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -14.49173 on output line 502 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -14.12013 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -14.12648 on output line 502 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.85112 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.84938 on output line 502 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.79769 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.79994 on output line 502 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.63189 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.63084 on output line 502 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.57891 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.58535 on output line 502 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -13.10785 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.10445 on output line 502 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.97628 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -12.96882 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.82584 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -12.82545 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -12.33938 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -12.34495 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.8686 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -11.85938 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.23451 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -11.23268 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -11.01702 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -11.02095 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.81164 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -10.81305 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -10.18538 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -10.18398 on output line 503 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -8.20804 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and -8.20887 on output line 504 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.87642 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 0.87607 on output line 504 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.3593 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 1.35751 on output line 504 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.60339 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 1.60508 on output line 504 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.89346 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 1.89098 on output line 504 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.88294 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 2.88237 on output line 504 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.05225 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 3.05276 on output line 504 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.62559 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 3.62544 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.73982 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 3.73821 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.00024 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.00075 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.13259 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.13324 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.46951 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.4687 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.48109 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.48021 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.58897 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.58768 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.65321 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.6537 on output line 505 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.78596 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 4.78663 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.84147 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 4.84207 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.01234 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.01164 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.12206 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.11989 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.13122 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.13935 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.19133 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.19206 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.28406 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.28235 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.52496 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.52385 on output line 506 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.54899 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.55003 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.71059 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.71243 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.81068 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.81021 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.8292 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.82855 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.90607 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.90547 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.29771 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 6.29801 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.39742 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 6.39614 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.58301 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 6.58364 on output line 507 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 7.24994 on reference line 487 in /build/reproducible-path/mopac-22.1.1/tests and 7.24962 on output line 508 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.516152 on reference line 493 in /build/reproducible-path/mopac-22.1.1/tests and -0.51667 on output line 514 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.5162 on reference line 493 in /build/reproducible-path/mopac-22.1.1/tests and 4.5167 on output line 514 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.45453 on reference line 493 in /build/reproducible-path/mopac-22.1.1/tests and 3.45501 on output line 514 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.664588 on reference line 494 in /build/reproducible-path/mopac-22.1.1/tests and 0.664071 on output line 515 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.3354 on reference line 494 in /build/reproducible-path/mopac-22.1.1/tests and 3.3359 on output line 515 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.23109 on reference line 494 in /build/reproducible-path/mopac-22.1.1/tests and 2.23155 on output line 515 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.615107 on reference line 495 in /build/reproducible-path/mopac-22.1.1/tests and -0.614498 on output line 516 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.6151 on reference line 495 in /build/reproducible-path/mopac-22.1.1/tests and 6.6145 on output line 516 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.73831 on reference line 495 in /build/reproducible-path/mopac-22.1.1/tests and 4.73769 on output line 516 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.47906 on reference line 496 in /build/reproducible-path/mopac-22.1.1/tests and -0.479747 on output line 517 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.4791 on reference line 496 in /build/reproducible-path/mopac-22.1.1/tests and 6.4797 on output line 517 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.61147 on reference line 496 in /build/reproducible-path/mopac-22.1.1/tests and 4.61217 on output line 517 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.24763 on reference line 497 in /build/reproducible-path/mopac-22.1.1/tests and 0.247392 on output line 518 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.7524 on reference line 497 in /build/reproducible-path/mopac-22.1.1/tests and 3.7526 on output line 518 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.67417 on reference line 497 in /build/reproducible-path/mopac-22.1.1/tests and 2.67433 on output line 518 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.583573 on reference line 500 in /build/reproducible-path/mopac-22.1.1/tests and -0.583411 on output line 521 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 6.5836 on reference line 500 in /build/reproducible-path/mopac-22.1.1/tests and 6.5834 on output line 521 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.74303 on reference line 500 in /build/reproducible-path/mopac-22.1.1/tests and 4.7429 on output line 521 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.755243 on reference line 502 in /build/reproducible-path/mopac-22.1.1/tests and -0.754651 on output line 523 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.7552 on reference line 502 in /build/reproducible-path/mopac-22.1.1/tests and 4.7547 on output line 523 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.04316 on reference line 502 in /build/reproducible-path/mopac-22.1.1/tests and 1.04343 on output line 523 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.71208 on reference line 502 in /build/reproducible-path/mopac-22.1.1/tests and 3.71122 on output line 523 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.221733 on reference line 503 in /build/reproducible-path/mopac-22.1.1/tests and 0.221509 on output line 524 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.7783 on reference line 503 in /build/reproducible-path/mopac-22.1.1/tests and 4.7785 on output line 524 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.30753 on reference line 503 in /build/reproducible-path/mopac-22.1.1/tests and 3.30772 on output line 524 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.342573 on reference line 505 in /build/reproducible-path/mopac-22.1.1/tests and -0.342353 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.3426 on reference line 505 in /build/reproducible-path/mopac-22.1.1/tests and 4.3424 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 3.26087 on reference line 505 in /build/reproducible-path/mopac-22.1.1/tests and 3.26073 on output line 526 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.183542 on reference line 507 in /build/reproducible-path/mopac-22.1.1/tests and 0.182601 on output line 528 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8165 on reference line 507 in /build/reproducible-path/mopac-22.1.1/tests and 0.8174 on output line 528 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81646 on reference line 507 in /build/reproducible-path/mopac-22.1.1/tests and 0.8174 on output line 528 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.17701 on reference line 508 in /build/reproducible-path/mopac-22.1.1/tests and 0.177574 on output line 529 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.823 on reference line 508 in /build/reproducible-path/mopac-22.1.1/tests and 0.8224 on output line 529 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.82299 on reference line 508 in /build/reproducible-path/mopac-22.1.1/tests and 0.82243 on output line 529 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.184264 on reference line 509 in /build/reproducible-path/mopac-22.1.1/tests and 0.185265 on output line 530 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8157 on reference line 509 in /build/reproducible-path/mopac-22.1.1/tests and 0.8147 on output line 530 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81574 on reference line 509 in /build/reproducible-path/mopac-22.1.1/tests and 0.81474 on output line 530 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.195662 on reference line 516 in /build/reproducible-path/mopac-22.1.1/tests and 0.195532 on output line 537 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8043 on reference line 516 in /build/reproducible-path/mopac-22.1.1/tests and 0.8045 on output line 537 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.80434 on reference line 516 in /build/reproducible-path/mopac-22.1.1/tests and 0.80447 on output line 537 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.166105 on reference line 517 in /build/reproducible-path/mopac-22.1.1/tests and 0.166314 on output line 538 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8339 on reference line 517 in /build/reproducible-path/mopac-22.1.1/tests and 0.8337 on output line 538 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8339 on reference line 517 in /build/reproducible-path/mopac-22.1.1/tests and 0.83369 on output line 538 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.822 on reference line 520 in /build/reproducible-path/mopac-22.1.1/tests and 0.8221 on output line 541 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 4.771 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 4.789 on output line 546 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.424 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and -5.418 on output line 546 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.478 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 2.453 on output line 546 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 7.637 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 7.636 on output line 546 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.334 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 0.313 on output line 547 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -0.706 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and -0.695 on output line 547 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.199 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 0.193 on output line 547 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.807 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 0.786 on output line 547 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 5.106 on reference line 527 in /build/reproducible-path/mopac-22.1.1/tests and 5.102 on output line 548 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -6.131 on reference line 527 in /build/reproducible-path/mopac-22.1.1/tests and -6.113 on output line 548 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 2.677 on reference line 527 in /build/reproducible-path/mopac-22.1.1/tests and 2.645 on output line 548 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 8.416 on reference line 527 in /build/reproducible-path/mopac-22.1.1/tests and 8.39 on output line 548 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16563 on reference line 533 in /build/reproducible-path/mopac-22.1.1/tests and 1.16499 on output line 554 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.09826 on reference line 533 in /build/reproducible-path/mopac-22.1.1/tests and 1.10082 on output line 554 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.19064 on reference line 533 in /build/reproducible-path/mopac-22.1.1/tests and 1.1892 on output line 554 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.68583 on reference line 534 in /build/reproducible-path/mopac-22.1.1/tests and 0.68637 on output line 555 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.7836 on reference line 534 in /build/reproducible-path/mopac-22.1.1/tests and 0.7833 on output line 555 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.76166 on reference line 534 in /build/reproducible-path/mopac-22.1.1/tests and 0.76189 on output line 555 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.61161 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests and 1.61207 on output line 556 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.80564 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests and 1.80472 on output line 556 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.32106 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests and 1.3209 on output line 556 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.70983 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests and 1.71147 on output line 557 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.41841 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests and 1.41853 on output line 557 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.48323 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests and 1.48217 on output line 557 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.9148 on reference line 537 in /build/reproducible-path/mopac-22.1.1/tests and 0.91576 on output line 558 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.75545 on reference line 537 in /build/reproducible-path/mopac-22.1.1/tests and 0.75423 on output line 558 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.00391 on reference line 537 in /build/reproducible-path/mopac-22.1.1/tests and 1.00434 on output line 558 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.18437 on reference line 538 in /build/reproducible-path/mopac-22.1.1/tests and 1.18448 on output line 559 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.03671 on reference line 538 in /build/reproducible-path/mopac-22.1.1/tests and 1.03636 on output line 559 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.13301 on reference line 538 in /build/reproducible-path/mopac-22.1.1/tests and 1.13322 on output line 559 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.66911 on reference line 539 in /build/reproducible-path/mopac-22.1.1/tests and 0.66932 on output line 560 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.38411 on reference line 540 in /build/reproducible-path/mopac-22.1.1/tests and 1.38454 on output line 561 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.54063 on reference line 540 in /build/reproducible-path/mopac-22.1.1/tests and 1.54099 on output line 561 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.81829 on reference line 540 in /build/reproducible-path/mopac-22.1.1/tests and 1.81737 on output line 561 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.58 on reference line 541 in /build/reproducible-path/mopac-22.1.1/tests and 1.57578 on output line 562 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.50414 on reference line 541 in /build/reproducible-path/mopac-22.1.1/tests and 1.50788 on output line 562 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.51517 on reference line 541 in /build/reproducible-path/mopac-22.1.1/tests and 1.51567 on output line 562 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.04316 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 1.04343 on output line 563 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.02757 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 1.02517 on output line 563 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.74638 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 1.74705 on output line 563 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.93813 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 0.939 on output line 563 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.07894 on reference line 543 in /build/reproducible-path/mopac-22.1.1/tests and 1.07907 on output line 564 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.9083 on reference line 544 in /build/reproducible-path/mopac-22.1.1/tests and 0.90755 on output line 565 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.17477 on reference line 544 in /build/reproducible-path/mopac-22.1.1/tests and 1.17537 on output line 565 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.93911 on reference line 545 in /build/reproducible-path/mopac-22.1.1/tests and 0.93868 on output line 566 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.14334 on reference line 545 in /build/reproducible-path/mopac-22.1.1/tests and 1.14353 on output line 566 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16591 on reference line 546 in /build/reproducible-path/mopac-22.1.1/tests and 1.16641 on output line 567 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-22.1.1/tests and 1.16766 on output line 567 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.94759 on reference line 546 in /build/reproducible-path/mopac-22.1.1/tests and 0.94626 on output line 567 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81646 on reference line 547 in /build/reproducible-path/mopac-22.1.1/tests and 0.8174 on output line 568 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.82299 on reference line 548 in /build/reproducible-path/mopac-22.1.1/tests and 0.82243 on output line 569 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.81574 on reference line 549 in /build/reproducible-path/mopac-22.1.1/tests and 0.81474 on output line 570 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.80434 on reference line 556 in /build/reproducible-path/mopac-22.1.1/tests and 0.80447 on output line 577 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 0.8339 on reference line 557 in /build/reproducible-path/mopac-22.1.1/tests and 0.83369 on output line 578 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -1.325 on reference line 567 in /build/reproducible-path/mopac-22.1.1/tests and -1.331 on output line 588 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -5.579 on reference line 567 in /build/reproducible-path/mopac-22.1.1/tests and -5.578 on output line 588 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -6.903 on reference line 567 in /build/reproducible-path/mopac-22.1.1/tests and -6.91 on output line 588 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -4054.5015 on reference line 576 in /build/reproducible-path/mopac-22.1.1/tests and -4054.5231 on output line 597 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 1748.4397 on reference line 577 in /build/reproducible-path/mopac-22.1.1/tests and 1748.4519 on output line 598 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2306.0618 on reference line 579 in /build/reproducible-path/mopac-22.1.1/tests and -2306.0713 on output line 600 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -391.1003 on reference line 583 in /build/reproducible-path/mopac-22.1.1/tests and -391.097 on output line 604 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -162.9682 on reference line 584 in /build/reproducible-path/mopac-22.1.1/tests and -162.968 on output line 605 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -554.0685 on reference line 586 in /build/reproducible-path/mopac-22.1.1/tests and -554.0649 on output line 607 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13473.4859 on reference line 588 in /build/reproducible-path/mopac-22.1.1/tests and 13471.4225 on output line 609 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -27163.3213 on reference line 589 in /build/reproducible-path/mopac-22.1.1/tests and -27159.1898 on output line 610 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 13847.8465 on reference line 590 in /build/reproducible-path/mopac-22.1.1/tests and 13845.784 on output line 611 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-22.1.1/tests and 158.0166 on output line 613 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-22.1.1/tests and -396.0483 on output line 615 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-22.1.1/tests and -2702.1196 on output line 617 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -119/123 Test #27: erratic-1 ........................ Passed 34.49 sec -1: -1: -1: MOPAC Job: "port.mop" ended normally on May 12, 2024, at 22:30. -1: +27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-22.1.1/tests and -167.66387 on output line 349 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-22.1.1/tests and -701.50565 on output line 349 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-22.1.1/tests and -62312.34871 on output line 351 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -160.75863 on reference line 364 in /build/reproducible-path/mopac-22.1.1/tests and -160.75952 on output line 353 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.32459 on reference line 366 in /build/reproducible-path/mopac-22.1.1/tests and -1.32551 on output line 355 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -167.66206 on reference line 367 in /build/reproducible-path/mopac-22.1.1/tests and -167.66387 on output line 356 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -16549.96563 on reference line 373 in /build/reproducible-path/mopac-22.1.1/tests and -16550.04373 on output line 362 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13847.84648 on reference line 374 in /build/reproducible-path/mopac-22.1.1/tests and 13847.92454 on output line 363 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 230.06 on reference line 375 in /build/reproducible-path/mopac-22.1.1/tests and 230.07 on output line 364 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 254.54 on reference line 376 in /build/reproducible-path/mopac-22.1.1/tests and 254.45 on output line 365 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.876 on reference line 380 in /build/reproducible-path/mopac-22.1.1/tests and 0.877 on output line 369 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.59953271 on reference line 403 in /build/reproducible-path/mopac-22.1.1/tests and -2.59896162 on output line 392 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.77575526 on reference line 403 in /build/reproducible-path/mopac-22.1.1/tests and -2.77598991 on output line 392 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.41403348 on reference line 403 in /build/reproducible-path/mopac-22.1.1/tests and -0.41356823 on output line 392 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.87686704 on reference line 404 in /build/reproducible-path/mopac-22.1.1/tests and -1.87640394 on output line 393 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.57709686 on reference line 404 in /build/reproducible-path/mopac-22.1.1/tests and -1.57723077 on output line 393 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.11334803 on reference line 404 in /build/reproducible-path/mopac-22.1.1/tests and 0.11370751 on output line 393 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.5710808 on reference line 405 in /build/reproducible-path/mopac-22.1.1/tests and -1.57024762 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.40333884 on reference line 405 in /build/reproducible-path/mopac-22.1.1/tests and -1.40365891 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.27574228 on reference line 405 in /build/reproducible-path/mopac-22.1.1/tests and 1.27603136 on output line 394 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.60327578 on reference line 406 in /build/reproducible-path/mopac-22.1.1/tests and -1.60374116 on output line 395 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.71421711 on reference line 406 in /build/reproducible-path/mopac-22.1.1/tests and -0.71392224 on output line 395 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.85842567 on reference line 406 in /build/reproducible-path/mopac-22.1.1/tests and -0.85793582 on output line 395 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.89666343 on reference line 407 in /build/reproducible-path/mopac-22.1.1/tests and -0.89706184 on output line 396 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54570105 on reference line 407 in /build/reproducible-path/mopac-22.1.1/tests and 0.54599274 on output line 396 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.52366121 on reference line 407 in /build/reproducible-path/mopac-22.1.1/tests and -0.52324795 on output line 396 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.39949204 on reference line 408 in /build/reproducible-path/mopac-22.1.1/tests and -1.40013066 on output line 397 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.43423735 on reference line 408 in /build/reproducible-path/mopac-22.1.1/tests and 1.4346423 on output line 397 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.68105693 on reference line 408 in /build/reproducible-path/mopac-22.1.1/tests and -1.68044133 on output line 397 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.00548105 on reference line 409 in /build/reproducible-path/mopac-22.1.1/tests and -1.00566825 on output line 398 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.87491828 on reference line 409 in /build/reproducible-path/mopac-22.1.1/tests and 2.87526176 on output line 398 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.49999724 on reference line 409 in /build/reproducible-path/mopac-22.1.1/tests and -1.49979489 on output line 398 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.27371739 on reference line 410 in /build/reproducible-path/mopac-22.1.1/tests and 0.27348332 on output line 399 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.11422137 on reference line 410 in /build/reproducible-path/mopac-22.1.1/tests and 3.11436124 on output line 399 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.13548835 on reference line 410 in /build/reproducible-path/mopac-22.1.1/tests and -1.13505631 on output line 399 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.73362283 on reference line 411 in /build/reproducible-path/mopac-22.1.1/tests and -1.73346999 on output line 400 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.81609528 on reference line 411 in /build/reproducible-path/mopac-22.1.1/tests and 3.8165806 on output line 400 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.67831486 on reference line 411 in /build/reproducible-path/mopac-22.1.1/tests and -1.67874001 on output line 400 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.5358667 on reference line 412 in /build/reproducible-path/mopac-22.1.1/tests and 0.53544445 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.35294005 on reference line 412 in /build/reproducible-path/mopac-22.1.1/tests and 0.35308987 on output line 401 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.10823064 on reference line 413 in /build/reproducible-path/mopac-22.1.1/tests and 0.10804857 on output line 402 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.61785947 on reference line 413 in /build/reproducible-path/mopac-22.1.1/tests and 0.61739549 on output line 402 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.57486784 on reference line 414 in /build/reproducible-path/mopac-22.1.1/tests and 1.57572835 on output line 403 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.37112909 on reference line 414 in /build/reproducible-path/mopac-22.1.1/tests and -1.37133637 on output line 403 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.81847858 on reference line 414 in /build/reproducible-path/mopac-22.1.1/tests and 0.81682586 on output line 403 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.68336068 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and 2.68296431 on output line 404 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76935628 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and 0.7700574 on output line 404 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.4261294 on reference line 415 in /build/reproducible-path/mopac-22.1.1/tests and 0.4257004 on output line 404 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.73060349 on reference line 416 in /build/reproducible-path/mopac-22.1.1/tests and 0.73077236 on output line 405 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.661907 on reference line 416 in /build/reproducible-path/mopac-22.1.1/tests and 0.66050781 on output line 405 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.877465 on reference line 416 in /build/reproducible-path/mopac-22.1.1/tests and 1.87758603 on output line 405 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.83813135 on reference line 417 in /build/reproducible-path/mopac-22.1.1/tests and -2.81117804 on output line 406 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.68231128 on reference line 417 in /build/reproducible-path/mopac-22.1.1/tests and -2.69580583 on output line 406 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48424696 on reference line 417 in /build/reproducible-path/mopac-22.1.1/tests and -1.49037624 on output line 406 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.99139435 on reference line 418 in /build/reproducible-path/mopac-22.1.1/tests and -2.00456099 on output line 407 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.68192697 on reference line 418 in /build/reproducible-path/mopac-22.1.1/tests and -3.68659616 on output line 407 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.28044258 on reference line 418 in /build/reproducible-path/mopac-22.1.1/tests and -0.25145718 on output line 407 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.54098093 on reference line 419 in /build/reproducible-path/mopac-22.1.1/tests and -3.55514809 on output line 408 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.92814342 on reference line 419 in /build/reproducible-path/mopac-22.1.1/tests and -2.90984152 on output line 408 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.13597889 on reference line 419 in /build/reproducible-path/mopac-22.1.1/tests and 0.11552368 on output line 408 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.32611074 on reference line 420 in /build/reproducible-path/mopac-22.1.1/tests and -1.32623294 on output line 409 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.88447283 on reference line 420 in /build/reproducible-path/mopac-22.1.1/tests and 0.88467182 on output line 409 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.44505802 on reference line 420 in /build/reproducible-path/mopac-22.1.1/tests and 0.44561484 on output line 409 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.00536182 on reference line 421 in /build/reproducible-path/mopac-22.1.1/tests and -1.00650934 on output line 410 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.05545018 on reference line 421 in /build/reproducible-path/mopac-22.1.1/tests and 1.05569412 on output line 410 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.6473519 on reference line 421 in /build/reproducible-path/mopac-22.1.1/tests and -2.64689231 on output line 410 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.50472859 on reference line 422 in /build/reproducible-path/mopac-22.1.1/tests and -2.50542622 on output line 411 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.35261396 on reference line 422 in /build/reproducible-path/mopac-22.1.1/tests and 1.35330833 on output line 411 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.76714801 on reference line 422 in /build/reproducible-path/mopac-22.1.1/tests and -1.76607228 on output line 411 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.98517326 on reference line 423 in /build/reproducible-path/mopac-22.1.1/tests and 0.98437465 on output line 412 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.07758771 on reference line 423 in /build/reproducible-path/mopac-22.1.1/tests and 0.07780314 on output line 412 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48015972 on reference line 423 in /build/reproducible-path/mopac-22.1.1/tests and -1.48045361 on output line 412 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.79430531 on reference line 424 in /build/reproducible-path/mopac-22.1.1/tests and 0.79389966 on output line 413 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.9369799 on reference line 424 in /build/reproducible-path/mopac-22.1.1/tests and -0.93638321 on output line 413 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.25653234 on reference line 425 in /build/reproducible-path/mopac-22.1.1/tests and 2.25753872 on output line 414 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.56734258 on reference line 425 in /build/reproducible-path/mopac-22.1.1/tests and -1.56783381 on output line 414 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.65451787 on reference line 425 in /build/reproducible-path/mopac-22.1.1/tests and 1.65267646 on output line 414 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.6120327 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests and 0.61318439 on output line 415 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.87739345 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests and -1.87829373 on output line 415 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.02629055 on reference line 426 in /build/reproducible-path/mopac-22.1.1/tests and 1.02426726 on output line 415 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.98131316 on reference line 427 in /build/reproducible-path/mopac-22.1.1/tests and 1.98237795 on output line 416 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.81923007 on reference line 427 in /build/reproducible-path/mopac-22.1.1/tests and -1.81850041 on output line 416 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.10064983 on reference line 427 in /build/reproducible-path/mopac-22.1.1/tests and -0.10267257 on output line 416 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.34816329 on reference line 428 in /build/reproducible-path/mopac-22.1.1/tests and 3.34833467 on output line 417 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.28076405 on reference line 428 in /build/reproducible-path/mopac-22.1.1/tests and 1.27974746 on output line 417 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.16963 on reference line 429 in /build/reproducible-path/mopac-22.1.1/tests and 3.16889655 on output line 418 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.3926988 on reference line 429 in /build/reproducible-path/mopac-22.1.1/tests and 0.39471133 on output line 418 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.48857036 on reference line 429 in /build/reproducible-path/mopac-22.1.1/tests and -0.48971362 on output line 418 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.55662468 on reference line 430 in /build/reproducible-path/mopac-22.1.1/tests and 2.55559551 on output line 419 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.85992671 on reference line 430 in /build/reproducible-path/mopac-22.1.1/tests and 1.86070736 on output line 419 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.30372863 on reference line 430 in /build/reproducible-path/mopac-22.1.1/tests and 0.30464276 on output line 419 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.49054429 on reference line 431 in /build/reproducible-path/mopac-22.1.1/tests and 0.49018231 on output line 420 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.73219412 on reference line 431 in /build/reproducible-path/mopac-22.1.1/tests and 1.73076849 on output line 420 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.75442162 on reference line 431 in /build/reproducible-path/mopac-22.1.1/tests and 1.75544379 on output line 420 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.21695551 on reference line 432 in /build/reproducible-path/mopac-22.1.1/tests and -0.21648421 on output line 421 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.130312 on reference line 432 in /build/reproducible-path/mopac-22.1.1/tests and 0.12832795 on output line 421 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.40601706 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 1.40651427 on output line 422 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54294822 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 0.54120692 on output line 422 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.7354817 on reference line 433 in /build/reproducible-path/mopac-22.1.1/tests and 2.73529212 on output line 422 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.599532711 on reference line 437 in /build/reproducible-path/mopac-22.1.1/tests and -2.598961619 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.775755262 on reference line 437 in /build/reproducible-path/mopac-22.1.1/tests and -2.775989906 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.414033476 on reference line 437 in /build/reproducible-path/mopac-22.1.1/tests and -0.413568226 on output line 426 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.876867044 on reference line 438 in /build/reproducible-path/mopac-22.1.1/tests and -1.876403943 on output line 427 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.577096858 on reference line 438 in /build/reproducible-path/mopac-22.1.1/tests and -1.577230766 on output line 427 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.113348029 on reference line 438 in /build/reproducible-path/mopac-22.1.1/tests and 0.113707508 on output line 427 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.571080805 on reference line 439 in /build/reproducible-path/mopac-22.1.1/tests and -1.570247616 on output line 428 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.403338838 on reference line 439 in /build/reproducible-path/mopac-22.1.1/tests and -1.403658914 on output line 428 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.275742279 on reference line 439 in /build/reproducible-path/mopac-22.1.1/tests and 1.276031363 on output line 428 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.603275776 on reference line 440 in /build/reproducible-path/mopac-22.1.1/tests and -1.603741164 on output line 429 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.714217106 on reference line 440 in /build/reproducible-path/mopac-22.1.1/tests and -0.713922244 on output line 429 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.858425666 on reference line 440 in /build/reproducible-path/mopac-22.1.1/tests and -0.857935818 on output line 429 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.896663428 on reference line 441 in /build/reproducible-path/mopac-22.1.1/tests and -0.897061838 on output line 430 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.545701046 on reference line 441 in /build/reproducible-path/mopac-22.1.1/tests and 0.545992743 on output line 430 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.523661208 on reference line 441 in /build/reproducible-path/mopac-22.1.1/tests and -0.52324795 on output line 430 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.399492042 on reference line 442 in /build/reproducible-path/mopac-22.1.1/tests and -1.400130658 on output line 431 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.434237348 on reference line 442 in /build/reproducible-path/mopac-22.1.1/tests and 1.434642301 on output line 431 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.68105693 on reference line 442 in /build/reproducible-path/mopac-22.1.1/tests and -1.680441328 on output line 431 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.005481052 on reference line 443 in /build/reproducible-path/mopac-22.1.1/tests and -1.005668255 on output line 432 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.874918282 on reference line 443 in /build/reproducible-path/mopac-22.1.1/tests and 2.875261759 on output line 432 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.499997236 on reference line 443 in /build/reproducible-path/mopac-22.1.1/tests and -1.499794894 on output line 432 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.273717388 on reference line 444 in /build/reproducible-path/mopac-22.1.1/tests and 0.273483325 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.114221371 on reference line 444 in /build/reproducible-path/mopac-22.1.1/tests and 3.114361239 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.135488352 on reference line 444 in /build/reproducible-path/mopac-22.1.1/tests and -1.135056314 on output line 433 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.733622831 on reference line 445 in /build/reproducible-path/mopac-22.1.1/tests and -1.733469992 on output line 434 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.816095283 on reference line 445 in /build/reproducible-path/mopac-22.1.1/tests and 3.816580599 on output line 434 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.678314861 on reference line 445 in /build/reproducible-path/mopac-22.1.1/tests and -1.678740011 on output line 434 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.535866704 on reference line 446 in /build/reproducible-path/mopac-22.1.1/tests and 0.535444451 on output line 435 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.35294005 on reference line 446 in /build/reproducible-path/mopac-22.1.1/tests and 0.353089873 on output line 435 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.108230641 on reference line 447 in /build/reproducible-path/mopac-22.1.1/tests and 0.108048566 on output line 436 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.617859472 on reference line 447 in /build/reproducible-path/mopac-22.1.1/tests and 0.617395487 on output line 436 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.574867837 on reference line 448 in /build/reproducible-path/mopac-22.1.1/tests and 1.575728353 on output line 437 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.371129093 on reference line 448 in /build/reproducible-path/mopac-22.1.1/tests and -1.371336366 on output line 437 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.818478582 on reference line 448 in /build/reproducible-path/mopac-22.1.1/tests and 0.816825863 on output line 437 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.683360684 on reference line 449 in /build/reproducible-path/mopac-22.1.1/tests and 2.682964307 on output line 438 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.76935628 on reference line 449 in /build/reproducible-path/mopac-22.1.1/tests and 0.770057404 on output line 438 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.426129397 on reference line 449 in /build/reproducible-path/mopac-22.1.1/tests and 0.425700401 on output line 438 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.730603491 on reference line 450 in /build/reproducible-path/mopac-22.1.1/tests and 0.73077236 on output line 439 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.661906999 on reference line 450 in /build/reproducible-path/mopac-22.1.1/tests and 0.660507811 on output line 439 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.877464999 on reference line 450 in /build/reproducible-path/mopac-22.1.1/tests and 1.877586028 on output line 439 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.838131354 on reference line 451 in /build/reproducible-path/mopac-22.1.1/tests and -2.81117804 on output line 440 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.682311282 on reference line 451 in /build/reproducible-path/mopac-22.1.1/tests and -2.69580583 on output line 440 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.48424696 on reference line 451 in /build/reproducible-path/mopac-22.1.1/tests and -1.490376242 on output line 440 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.991394346 on reference line 452 in /build/reproducible-path/mopac-22.1.1/tests and -2.004560991 on output line 441 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.681926971 on reference line 452 in /build/reproducible-path/mopac-22.1.1/tests and -3.686596164 on output line 441 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.280442585 on reference line 452 in /build/reproducible-path/mopac-22.1.1/tests and -0.251457183 on output line 441 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -3.540980929 on reference line 453 in /build/reproducible-path/mopac-22.1.1/tests and -3.555148086 on output line 442 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.928143419 on reference line 453 in /build/reproducible-path/mopac-22.1.1/tests and -2.909841524 on output line 442 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.135978891 on reference line 453 in /build/reproducible-path/mopac-22.1.1/tests and 0.115523681 on output line 442 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.326110741 on reference line 454 in /build/reproducible-path/mopac-22.1.1/tests and -1.326232944 on output line 443 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.884472829 on reference line 454 in /build/reproducible-path/mopac-22.1.1/tests and 0.884671825 on output line 443 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.445058023 on reference line 454 in /build/reproducible-path/mopac-22.1.1/tests and 0.445614835 on output line 443 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.005361818 on reference line 455 in /build/reproducible-path/mopac-22.1.1/tests and -1.006509337 on output line 444 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.055450177 on reference line 455 in /build/reproducible-path/mopac-22.1.1/tests and 1.05569412 on output line 444 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.647351904 on reference line 455 in /build/reproducible-path/mopac-22.1.1/tests and -2.646892312 on output line 444 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2.50472859 on reference line 456 in /build/reproducible-path/mopac-22.1.1/tests and -2.505426223 on output line 445 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.35261396 on reference line 456 in /build/reproducible-path/mopac-22.1.1/tests and 1.353308333 on output line 445 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.767148015 on reference line 456 in /build/reproducible-path/mopac-22.1.1/tests and -1.766072282 on output line 445 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.985173262 on reference line 457 in /build/reproducible-path/mopac-22.1.1/tests and 0.984374645 on output line 446 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.077587708 on reference line 457 in /build/reproducible-path/mopac-22.1.1/tests and 0.077803136 on output line 446 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.480159718 on reference line 457 in /build/reproducible-path/mopac-22.1.1/tests and -1.480453608 on output line 446 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.79430531 on reference line 458 in /build/reproducible-path/mopac-22.1.1/tests and 0.79389966 on output line 447 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.936979899 on reference line 458 in /build/reproducible-path/mopac-22.1.1/tests and -0.936383212 on output line 447 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.256532345 on reference line 459 in /build/reproducible-path/mopac-22.1.1/tests and 2.257538717 on output line 448 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.567342575 on reference line 459 in /build/reproducible-path/mopac-22.1.1/tests and -1.567833812 on output line 448 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.654517874 on reference line 459 in /build/reproducible-path/mopac-22.1.1/tests and 1.65267646 on output line 448 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.612032697 on reference line 460 in /build/reproducible-path/mopac-22.1.1/tests and 0.613184391 on output line 449 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.877393446 on reference line 460 in /build/reproducible-path/mopac-22.1.1/tests and -1.878293729 on output line 449 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.026290549 on reference line 460 in /build/reproducible-path/mopac-22.1.1/tests and 1.024267258 on output line 449 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.981313156 on reference line 461 in /build/reproducible-path/mopac-22.1.1/tests and 1.982377952 on output line 450 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.819230069 on reference line 461 in /build/reproducible-path/mopac-22.1.1/tests and -1.818500412 on output line 450 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.100649828 on reference line 461 in /build/reproducible-path/mopac-22.1.1/tests and -0.102672574 on output line 450 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.348163288 on reference line 462 in /build/reproducible-path/mopac-22.1.1/tests and 3.34833467 on output line 451 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.280764055 on reference line 462 in /build/reproducible-path/mopac-22.1.1/tests and 1.279747462 on output line 451 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 3.169630004 on reference line 463 in /build/reproducible-path/mopac-22.1.1/tests and 3.16889655 on output line 452 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.392698797 on reference line 463 in /build/reproducible-path/mopac-22.1.1/tests and 0.394711328 on output line 452 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.488570355 on reference line 463 in /build/reproducible-path/mopac-22.1.1/tests and -0.489713616 on output line 452 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.55662468 on reference line 464 in /build/reproducible-path/mopac-22.1.1/tests and 2.555595509 on output line 453 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.859926715 on reference line 464 in /build/reproducible-path/mopac-22.1.1/tests and 1.860707364 on output line 453 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.303728634 on reference line 464 in /build/reproducible-path/mopac-22.1.1/tests and 0.304642758 on output line 453 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.490544291 on reference line 465 in /build/reproducible-path/mopac-22.1.1/tests and 0.490182311 on output line 454 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.732194119 on reference line 465 in /build/reproducible-path/mopac-22.1.1/tests and 1.730768486 on output line 454 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.754421617 on reference line 465 in /build/reproducible-path/mopac-22.1.1/tests and 1.755443787 on output line 454 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.216955506 on reference line 466 in /build/reproducible-path/mopac-22.1.1/tests and -0.216484212 on output line 455 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.130311996 on reference line 466 in /build/reproducible-path/mopac-22.1.1/tests and 0.128327946 on output line 455 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.40601706 on reference line 467 in /build/reproducible-path/mopac-22.1.1/tests and 1.406514272 on output line 456 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.54294822 on reference line 467 in /build/reproducible-path/mopac-22.1.1/tests and 0.541206919 on output line 456 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.735481703 on reference line 467 in /build/reproducible-path/mopac-22.1.1/tests and 2.735292124 on output line 456 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -25.77464 on reference line 478 in /build/reproducible-path/mopac-22.1.1/tests and -25.77428 on output line 467 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -25.61711 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -25.61745 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -24.55775 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -24.5576 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -20.80122 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -20.80137 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -19.85203 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -19.85185 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -19.56616 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -19.56637 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -17.92319 on reference line 479 in /build/reproducible-path/mopac-22.1.1/tests and -17.92309 on output line 468 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.92288 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -15.92152 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.667 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -15.66804 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -15.07691 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -15.07666 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.98423 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -14.98411 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.78592 on reference line 480 in /build/reproducible-path/mopac-22.1.1/tests and -14.78582 on output line 469 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -14.12013 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -14.12063 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.85112 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.85071 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.63189 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.63131 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.57891 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.58005 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -13.10785 on reference line 481 in /build/reproducible-path/mopac-22.1.1/tests and -13.10762 on output line 470 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.97628 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -12.97569 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.82584 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -12.82571 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -12.33938 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -12.33967 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.8686 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -11.86884 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -11.23451 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -11.23427 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -10.18538 on reference line 482 in /build/reproducible-path/mopac-22.1.1/tests and -10.18522 on output line 471 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.87642 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 0.87653 on output line 472 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.60339 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 1.60372 on output line 472 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.80006 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 2.80022 on output line 472 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.88294 on reference line 483 in /build/reproducible-path/mopac-22.1.1/tests and 2.88316 on output line 472 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.00024 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.00043 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.46951 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.46962 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.48109 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.48128 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.58897 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.58882 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.65321 on reference line 484 in /build/reproducible-path/mopac-22.1.1/tests and 4.65335 on output line 473 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.84147 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 4.84159 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.01234 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.01202 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.12206 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.12172 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.13122 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.13167 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.28406 on reference line 485 in /build/reproducible-path/mopac-22.1.1/tests and 5.28426 on output line 474 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.54899 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.54916 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.71059 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.71048 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.81068 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.81083 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.8292 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 5.82907 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.29771 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 6.29785 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 6.58301 on reference line 486 in /build/reproducible-path/mopac-22.1.1/tests and 6.58319 on output line 475 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 7.24994 on reference line 487 in /build/reproducible-path/mopac-22.1.1/tests and 7.24981 on output line 476 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 4.771 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and 4.769 on output line 514 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -5.424 on reference line 525 in /build/reproducible-path/mopac-22.1.1/tests and -5.426 on output line 514 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.334 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 0.332 on output line 515 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -0.706 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and -0.705 on output line 515 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.199 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 0.2 on output line 515 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.807 on reference line 526 in /build/reproducible-path/mopac-22.1.1/tests and 0.805 on output line 515 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 5.106 on reference line 527 in /build/reproducible-path/mopac-22.1.1/tests and 5.102 on output line 516 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 2.677 on reference line 527 in /build/reproducible-path/mopac-22.1.1/tests and 2.678 on output line 516 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 8.416 on reference line 527 in /build/reproducible-path/mopac-22.1.1/tests and 8.414 on output line 516 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.61161 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests and 1.61139 on output line 524 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.80564 on reference line 535 in /build/reproducible-path/mopac-22.1.1/tests and 1.80588 on output line 524 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.41841 on reference line 536 in /build/reproducible-path/mopac-22.1.1/tests and 1.41828 on output line 525 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.58 on reference line 541 in /build/reproducible-path/mopac-22.1.1/tests and 1.58018 on output line 530 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.93813 on reference line 542 in /build/reproducible-path/mopac-22.1.1/tests and 0.93826 on output line 531 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.93911 on reference line 545 in /build/reproducible-path/mopac-22.1.1/tests and 0.93928 on output line 534 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.14334 on reference line 545 in /build/reproducible-path/mopac-22.1.1/tests and 1.14316 on output line 534 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-22.1.1/tests and 1.167 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 0.94759 on reference line 546 in /build/reproducible-path/mopac-22.1.1/tests and 0.94737 on output line 535 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -1.325 on reference line 567 in /build/reproducible-path/mopac-22.1.1/tests and -1.326 on output line 556 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -6.903 on reference line 567 in /build/reproducible-path/mopac-22.1.1/tests and -6.904 on output line 556 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -4054.5015 on reference line 576 in /build/reproducible-path/mopac-22.1.1/tests and -4054.5048 on output line 565 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 1748.4397 on reference line 577 in /build/reproducible-path/mopac-22.1.1/tests and 1748.4437 on output line 566 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2306.0618 on reference line 579 in /build/reproducible-path/mopac-22.1.1/tests and -2306.0611 on output line 568 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -391.1003 on reference line 583 in /build/reproducible-path/mopac-22.1.1/tests and -391.1014 on output line 572 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -162.9682 on reference line 584 in /build/reproducible-path/mopac-22.1.1/tests and -162.968 on output line 573 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -554.0685 on reference line 586 in /build/reproducible-path/mopac-22.1.1/tests and -554.0694 on output line 575 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13473.4859 on reference line 588 in /build/reproducible-path/mopac-22.1.1/tests and 13473.5614 on output line 577 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -27163.3213 on reference line 589 in /build/reproducible-path/mopac-22.1.1/tests and -27163.4746 on output line 578 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 13847.8465 on reference line 590 in /build/reproducible-path/mopac-22.1.1/tests and 13847.9245 on output line 579 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-22.1.1/tests and 158.0113 on output line 581 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-22.1.1/tests and -396.0581 on output line 583 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-22.1.1/tests and -2702.1192 on output line 585 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac +118/123 Test #27: erratic-1 ........................ Passed 5.51 sec +59: +59: +59: MOPAC Job: "poly_c8_mr.mop" ended normally on Jun 16, 2025, at 06:57. +59: +119/123 Test #59: poly_c8_mr ....................... Passed 5.41 sec 113: 113: -113: MOPAC Job: "ROOT.mop" ended normally on May 12, 2024, at 22:30. +113: MOPAC Job: "ROOT.mop" ended normally on Jun 16, 2025, at 06:58. 113: 113: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 113: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac @@ -3906,7 +3817,11 @@ 113: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-22.1.1/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 113: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 113: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-22.1.1/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -120/123 Test #113: key-ROOT ......................... Passed 52.38 sec +120/123 Test #113: key-ROOT ......................... Passed 11.18 sec +1: +1: +1: MOPAC Job: "port.mop" ended normally on Jun 16, 2025, at 06:58. +1: 1: WARNING: numerical mismatch between 0.00060287 on reference line 52884 in /build/reproducible-path/mopac-22.1.1/tests and 1.9631 on output line 52884 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.000614315 on reference line 52885 in /build/reproducible-path/mopac-22.1.1/tests and 16.9805 on output line 52885 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 18.676412 on reference line 52887 in /build/reproducible-path/mopac-22.1.1/tests and 16.980531 on output line 52887 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac @@ -5838,21 +5753,21 @@ 1: WARNING: numerical mismatch between -470.037736 on reference line 103568 in /build/reproducible-path/mopac-22.1.1/tests and -470.03787 on output line 103570 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.005486 on reference line 103569 in /build/reproducible-path/mopac-22.1.1/tests and 0.005765 on output line 103571 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between -470.038009 on reference line 103571 in /build/reproducible-path/mopac-22.1.1/tests and -470.038153 on output line 103573 in /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/mopac -121/123 Test #1: port ............................. Passed 88.27 sec +121/123 Test #1: port ............................. Passed 18.87 sec 3: 3: -3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on May 12, 2024, at 22:31. +3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Jun 16, 2025, at 06:58. 3: -122/123 Test #3: mozyme ........................... Passed 144.70 sec +122/123 Test #3: mozyme ........................... Passed 30.16 sec 2: 2: -2: MOPAC Job: "Crambin_1SCF.mop" ended normally on May 12, 2024, at 22:32. +2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Jun 16, 2025, at 06:58. 2: -123/123 Test #2: crambin .......................... Passed 186.48 sec +123/123 Test #2: crambin .......................... Passed 36.85 sec 100% tests passed, 0 tests failed out of 123 -Total Test time (real) = 186.60 sec +Total Test time (real) = 36.86 sec make[1]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -5862,7 +5777,7 @@ debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/mopac-22.1.1' dh_auto_install - cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/mopac-22.1.1/debian/mopac AM_UPDATE_INFO_DIR=no + cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/mopac-22.1.1/debian/mopac AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/mopac-22.1.1 -B/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -5879,9 +5794,9 @@ make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-makpol.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +[ 6%] Built target mopac-makpol make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/build -[ 6%] Built target mopac-makpol make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-core.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' @@ -5893,15 +5808,15 @@ make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' cd /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1 /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu /build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build -make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build -make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' [100%] Built target mopac-param [100%] Built target mopac make[3]: Leaving directory '/build/reproducible-path/mopac-22.1.1/obj-x86_64-linux-gnu' @@ -5948,12 +5863,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1065940/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/362945 and its subdirectories -I: Current time: Sun May 12 22:33:22 -12 2024 -I: pbuilder-time-stamp: 1715596402 +I: removing directory /srv/workspace/pbuilder/1065940 and its subdirectories +I: Current time: Mon Jun 16 06:58:41 +14 2025 +I: pbuilder-time-stamp: 1750006721