Diff of the two buildlogs: -- --- b1/build.log 2024-05-05 11:19:46.897500481 +0000 +++ b2/build.log 2024-05-05 11:29:52.639715503 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sat May 4 23:06:10 -12 2024 -I: pbuilder-time-stamp: 1714907170 +I: Current time: Sun Jun 8 07:42:50 +14 2025 +I: pbuilder-time-stamp: 1749318170 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -29,52 +29,84 @@ dpkg-source: info: applying fix-ftbfs-with-GCC-4.9.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2602562/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1140540/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 7 17:42 /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/1140540/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1140540/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='dfbe211afeee46a380135ca34d7aeddf' - 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='2602562' - PS1='# ' - PS2='> ' + INVOCATION_ID=a0377e303d0d40b091f12b0e6dd25590 + 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=1140540 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.UREKW3CK/pbuilderrc_kMud --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.UREKW3CK/b1 --logfile b1/build.log molds_0.3.1-1.dsc' - SUDO_GID='111' - SUDO_UID='106' - 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.UREKW3CK/pbuilderrc_nAch --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.UREKW3CK/b2 --logfile b2/build.log molds_0.3.1-1.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 ionos11-amd64 6.1.0-20-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.85-1 (2024-04-11) 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 3 08:24 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2602562/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Jun 5 14:46 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1140540/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -280,7 +312,7 @@ Get: 146 http://deb.debian.org/debian trixie/main amd64 libruby3.1t64 amd64 3.1.2-8.3 [5399 kB] Get: 147 http://deb.debian.org/debian trixie/main amd64 libruby amd64 1:3.1+nmu1 [4664 B] Get: 148 http://deb.debian.org/debian trixie/main amd64 mpi-default-bin amd64 1.15 [2408 B] -Fetched 140 MB in 5s (27.2 MB/s) +Fetched 140 MB in 8s (17.4 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package readline-common. (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 ... 19695 files and directories currently installed.) @@ -916,7 +948,11 @@ 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/molds-0.3.1/ && 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 > ../molds_0.3.1-1_source.changes +I: user script /srv/workspace/pbuilder/1140540/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/1140540/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/molds-0.3.1/ && 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 > ../molds_0.3.1-1_source.changes dpkg-buildpackage: info: source package molds dpkg-buildpackage: info: source version 0.3.1-1 dpkg-buildpackage: info: source distribution unstable @@ -3045,11 +3081,11 @@ command: ../src/molds < c2h6_mndo_force.in > temp.dat command: diff c2h6_mndo_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.074803e-10 8.367031e-09 -> Error: 3.074945e-10 8.367417e-09 +> Error: 3.074874e-10 8.367224e-09 < Error: 1.227439e-09 3.340060e-08 -> Error: 1.227454e-09 3.340098e-08 +> Error: 1.227447e-09 3.340079e-08 < Error: 2.730806e-09 7.430960e-08 -> Error: 2.730820e-09 7.430999e-08 +> Error: 2.730813e-09 7.430980e-08 < Error: 4.810836e-09 1.309106e-07 > Error: 4.810868e-09 1.309114e-07 @@ -3061,11 +3097,11 @@ command: ../src/molds < c2h6_mndo_force.in > temp.dat command: diff c2h6_mndo_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.074803e-10 8.367031e-09 -> Error: 3.074945e-10 8.367417e-09 +> Error: 3.074874e-10 8.367224e-09 < Error: 1.227439e-09 3.340060e-08 -> Error: 1.227454e-09 3.340098e-08 +> Error: 1.227447e-09 3.340079e-08 < Error: 2.730806e-09 7.430960e-08 -> Error: 2.730820e-09 7.430999e-08 +> Error: 2.730813e-09 7.430980e-08 < Error: 4.810836e-09 1.309106e-07 > Error: 4.810868e-09 1.309114e-07 @@ -3077,11 +3113,11 @@ command: mpirun -np 2 ../src/molds c2h6_mndo_force.in > temp.dat command: diff c2h6_mndo_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.074803e-10 8.367031e-09 -> Error: 3.074945e-10 8.367417e-09 +> Error: 3.074874e-10 8.367224e-09 < Error: 1.227439e-09 3.340060e-08 -> Error: 1.227454e-09 3.340098e-08 +> Error: 1.227447e-09 3.340079e-08 < Error: 2.730806e-09 7.430960e-08 -> Error: 2.730820e-09 7.430999e-08 +> Error: 2.730813e-09 7.430980e-08 < Error: 4.810836e-09 1.309106e-07 > Error: 4.810868e-09 1.309114e-07 @@ -3105,6 +3141,8 @@ > Error: 2.675362e-07 7.280088e-06 < Error: 2.198940e-07 5.983667e-06 > Error: 2.198940e-07 5.983668e-06 +< Error: 2.970235e-07 8.082486e-06 +> Error: 2.970235e-07 8.082487e-06 < Error: 2.892434e-07 7.870777e-06 > Error: 2.892434e-07 7.870778e-06 @@ -3121,6 +3159,8 @@ > Error: 2.675362e-07 7.280088e-06 < Error: 2.198940e-07 5.983667e-06 > Error: 2.198940e-07 5.983668e-06 +< Error: 2.970235e-07 8.082486e-06 +> Error: 2.970235e-07 8.082487e-06 < Error: 2.892434e-07 7.870777e-06 > Error: 2.892434e-07 7.870778e-06 @@ -3137,6 +3177,8 @@ > Error: 2.675362e-07 7.280088e-06 < Error: 2.198940e-07 5.983667e-06 > Error: 2.198940e-07 5.983668e-06 +< Error: 2.970235e-07 8.082486e-06 +> Error: 2.970235e-07 8.082487e-06 < Error: 2.892434e-07 7.870777e-06 > Error: 2.892434e-07 7.870778e-06 @@ -3155,11 +3197,13 @@ command: ../src/molds < c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat command: diff c2h6_mndo_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.668212e-07 7.260631e-06 -> Error: 2.668212e-07 7.260633e-06 +> Error: 2.668212e-07 7.260632e-06 +< Error: 2.198960e-07 5.983723e-06 +> Error: 2.198960e-07 5.983724e-06 < Error: 2.970267e-07 8.082573e-06 > Error: 2.970267e-07 8.082574e-06 < Error: 2.892472e-07 7.870879e-06 -> Error: 2.892472e-07 7.870880e-06 +> Error: 2.892472e-07 7.870881e-06 @@ -3169,11 +3213,13 @@ command: ../src/molds < c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat command: diff c2h6_mndo_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.668212e-07 7.260631e-06 -> Error: 2.668212e-07 7.260633e-06 +> Error: 2.668212e-07 7.260632e-06 +< Error: 2.198960e-07 5.983723e-06 +> Error: 2.198960e-07 5.983724e-06 < Error: 2.970267e-07 8.082573e-06 > Error: 2.970267e-07 8.082574e-06 < Error: 2.892472e-07 7.870879e-06 -> Error: 2.892472e-07 7.870880e-06 +> Error: 2.892472e-07 7.870881e-06 @@ -3183,11 +3229,13 @@ command: mpirun -np 2 ../src/molds c2h6_mndo_davidsonCIS_singlet_force.in > temp.dat command: diff c2h6_mndo_davidsonCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.668212e-07 7.260631e-06 -> Error: 2.668212e-07 7.260633e-06 +> Error: 2.668212e-07 7.260632e-06 +< Error: 2.198960e-07 5.983723e-06 +> Error: 2.198960e-07 5.983724e-06 < Error: 2.970267e-07 8.082573e-06 > Error: 2.970267e-07 8.082574e-06 < Error: 2.892472e-07 7.870879e-06 -> Error: 2.892472e-07 7.870880e-06 +> Error: 2.892472e-07 7.870881e-06 @@ -3374,15 +3422,15 @@ command: ../src/molds < c2h6_am1_force.in > temp.dat command: diff c2h6_am1_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.502461e-10 9.530756e-09 -> Error: 3.503384e-10 9.533270e-09 +> Error: 3.503313e-10 9.533077e-09 < Error: 1.411196e-09 3.840092e-08 > Error: 1.407171e-09 3.829139e-08 < Error: 3.134435e-09 8.529300e-08 -> Error: 3.130541e-09 8.518704e-08 +> Error: 3.130527e-09 8.518666e-08 < Error: 5.520974e-09 1.502345e-07 > Error: 5.516931e-09 1.501245e-07 < Error: 8.608080e-09 2.342396e-07 -> Error: 8.612346e-09 2.343557e-07 +> Error: 8.612332e-09 2.343554e-07 @@ -3392,15 +3440,15 @@ command: ../src/molds < c2h6_am1_force.in > temp.dat command: diff c2h6_am1_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.502461e-10 9.530756e-09 -> Error: 3.503384e-10 9.533270e-09 +> Error: 3.503313e-10 9.533077e-09 < Error: 1.411196e-09 3.840092e-08 > Error: 1.407171e-09 3.829139e-08 < Error: 3.134435e-09 8.529300e-08 -> Error: 3.130541e-09 8.518704e-08 +> Error: 3.130527e-09 8.518666e-08 < Error: 5.520974e-09 1.502345e-07 > Error: 5.516931e-09 1.501245e-07 < Error: 8.608080e-09 2.342396e-07 -> Error: 8.612346e-09 2.343557e-07 +> Error: 8.612332e-09 2.343554e-07 @@ -3410,15 +3458,15 @@ command: mpirun -np 2 ../src/molds c2h6_am1_force.in > temp.dat command: diff c2h6_am1_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 3.502461e-10 9.530756e-09 -> Error: 3.503384e-10 9.533270e-09 +> Error: 3.503313e-10 9.533077e-09 < Error: 1.411196e-09 3.840092e-08 > Error: 1.407171e-09 3.829139e-08 < Error: 3.134435e-09 8.529300e-08 -> Error: 3.130541e-09 8.518704e-08 +> Error: 3.130527e-09 8.518666e-08 < Error: 5.520974e-09 1.502345e-07 > Error: 5.516931e-09 1.501245e-07 < Error: 8.608080e-09 2.342396e-07 -> Error: 8.612346e-09 2.343557e-07 +> Error: 8.612332e-09 2.343554e-07 @@ -3443,7 +3491,7 @@ < Electronic dipole moment: 18 -2.110262e-02 -6.907494e-02 -1.159345e-01 1.365924e-01 -5.363753e-02 -1.755710e-01 -2.946763e-01 3.471834e-01 > Electronic dipole moment: 18 -2.110263e-02 -6.907494e-02 -1.159345e-01 1.365924e-01 -5.363753e-02 -1.755710e-01 -2.946763e-01 3.471834e-01 < Error: 2.946238e-07 8.017187e-06 -> Error: 2.946198e-07 8.017076e-06 +> Error: 2.946197e-07 8.017075e-06 < Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204092e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060497e-06 1.696044e-01 > Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204087e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060486e-06 1.696044e-01 < Electronic dipole moment: 8 7.464424e-04 -3.185396e-02 2.409892e-02 3.994984e-02 1.897268e-03 -8.096470e-02 6.125335e-02 1.015424e-01 @@ -3463,7 +3511,7 @@ < Electronic dipole moment: 39 5.755827e-03 -7.312945e-02 -1.290452e-01 1.484376e-01 1.462985e-02 -1.858766e-01 -3.280003e-01 3.772908e-01 > Electronic dipole moment: 39 5.755827e-03 -7.312945e-02 -1.290452e-01 1.484376e-01 1.462986e-02 -1.858766e-01 -3.280003e-01 3.772908e-01 < Error: 3.183561e-07 8.662979e-06 -> Error: 3.183604e-07 8.663097e-06 +> Error: 3.183604e-07 8.663096e-06 @@ -3481,7 +3529,7 @@ < Electronic dipole moment: 18 -2.110262e-02 -6.907494e-02 -1.159345e-01 1.365924e-01 -5.363753e-02 -1.755710e-01 -2.946763e-01 3.471834e-01 > Electronic dipole moment: 18 -2.110263e-02 -6.907494e-02 -1.159345e-01 1.365924e-01 -5.363753e-02 -1.755710e-01 -2.946763e-01 3.471834e-01 < Error: 2.946238e-07 8.017187e-06 -> Error: 2.946198e-07 8.017076e-06 +> Error: 2.946197e-07 8.017075e-06 < Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204092e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060497e-06 1.696044e-01 > Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204087e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060486e-06 1.696044e-01 < Electronic dipole moment: 8 7.464424e-04 -3.185396e-02 2.409892e-02 3.994984e-02 1.897268e-03 -8.096470e-02 6.125335e-02 1.015424e-01 @@ -3519,7 +3567,7 @@ < Electronic dipole moment: 18 -2.110262e-02 -6.907494e-02 -1.159345e-01 1.365924e-01 -5.363753e-02 -1.755710e-01 -2.946763e-01 3.471834e-01 > Electronic dipole moment: 18 -2.110263e-02 -6.907494e-02 -1.159345e-01 1.365924e-01 -5.363753e-02 -1.755710e-01 -2.946763e-01 3.471834e-01 < Error: 2.946238e-07 8.017187e-06 -> Error: 2.946198e-07 8.017076e-06 +> Error: 2.946197e-07 8.017075e-06 < Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204092e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060497e-06 1.696044e-01 > Total dipole moment: 11 -3.894514e-02 -5.418335e-02 -1.204087e-06 6.672750e-02 -9.898869e-02 -1.377204e-01 -3.060486e-06 1.696044e-01 < Electronic dipole moment: 8 7.464424e-04 -3.185396e-02 2.409892e-02 3.994984e-02 1.897268e-03 -8.096470e-02 6.125335e-02 1.015424e-01 @@ -3558,11 +3606,11 @@ < Error: 2.983706e-07 8.119141e-06 > Error: 2.983706e-07 8.119143e-06 < Error: 2.946161e-07 8.016975e-06 -> Error: 2.946203e-07 8.017092e-06 +> Error: 2.946204e-07 8.017092e-06 < Error: 2.291961e-07 6.236794e-06 > Error: 2.291963e-07 6.236799e-06 < Error: 3.309081e-07 9.004540e-06 -> Error: 3.309043e-07 9.004435e-06 +> Error: 3.309042e-07 9.004435e-06 < Error: 3.183379e-07 8.662485e-06 > Error: 3.183380e-07 8.662486e-06 @@ -3576,11 +3624,11 @@ < Error: 2.983706e-07 8.119141e-06 > Error: 2.983706e-07 8.119143e-06 < Error: 2.946161e-07 8.016975e-06 -> Error: 2.946203e-07 8.017092e-06 +> Error: 2.946204e-07 8.017092e-06 < Error: 2.291961e-07 6.236794e-06 > Error: 2.291963e-07 6.236799e-06 < Error: 3.309081e-07 9.004540e-06 -> Error: 3.309043e-07 9.004435e-06 +> Error: 3.309042e-07 9.004435e-06 < Error: 3.183379e-07 8.662485e-06 > Error: 3.183380e-07 8.662486e-06 @@ -3594,11 +3642,11 @@ < Error: 2.983706e-07 8.119141e-06 > Error: 2.983706e-07 8.119143e-06 < Error: 2.946161e-07 8.016975e-06 -> Error: 2.946203e-07 8.017092e-06 +> Error: 2.946204e-07 8.017092e-06 < Error: 2.291961e-07 6.236794e-06 > Error: 2.291963e-07 6.236799e-06 < Error: 3.309081e-07 9.004540e-06 -> Error: 3.309043e-07 9.004435e-06 +> Error: 3.309042e-07 9.004435e-06 < Error: 3.183379e-07 8.662485e-06 > Error: 3.183380e-07 8.662486e-06 @@ -3787,15 +3835,13 @@ command: ../src/molds < c2h6_pm3_force.in > temp.dat command: diff c2h6_pm3_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.012719e-10 5.476931e-09 -> Error: 2.011937e-10 5.474804e-09 +> Error: 2.012150e-10 5.475384e-09 < Error: 8.029879e-10 2.185059e-08 -> Error: 8.030270e-10 2.185165e-08 +> Error: 8.030412e-10 2.185204e-08 < Error: 1.819158e-09 4.950221e-08 -> Error: 1.819084e-09 4.950018e-08 -< Error: 3.230431e-09 8.790521e-08 -> Error: 3.230424e-09 8.790501e-08 +> Error: 1.819105e-09 4.950076e-08 < Error: 5.011284e-09 1.363651e-07 -> Error: 5.011248e-09 1.363641e-07 +> Error: 5.011277e-09 1.363649e-07 @@ -3805,15 +3851,13 @@ command: ../src/molds < c2h6_pm3_force.in > temp.dat command: diff c2h6_pm3_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.012719e-10 5.476931e-09 -> Error: 2.011937e-10 5.474804e-09 +> Error: 2.012150e-10 5.475384e-09 < Error: 8.029879e-10 2.185059e-08 -> Error: 8.030270e-10 2.185165e-08 +> Error: 8.030412e-10 2.185204e-08 < Error: 1.819158e-09 4.950221e-08 -> Error: 1.819084e-09 4.950018e-08 -< Error: 3.230431e-09 8.790521e-08 -> Error: 3.230424e-09 8.790501e-08 +> Error: 1.819105e-09 4.950076e-08 < Error: 5.011284e-09 1.363651e-07 -> Error: 5.011248e-09 1.363641e-07 +> Error: 5.011277e-09 1.363649e-07 @@ -3823,15 +3867,13 @@ command: mpirun -np 2 ../src/molds c2h6_pm3_force.in > temp.dat command: diff c2h6_pm3_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 2.012719e-10 5.476931e-09 -> Error: 2.011937e-10 5.474804e-09 +> Error: 2.012150e-10 5.475384e-09 < Error: 8.029879e-10 2.185059e-08 -> Error: 8.030270e-10 2.185165e-08 +> Error: 8.030412e-10 2.185204e-08 < Error: 1.819158e-09 4.950221e-08 -> Error: 1.819084e-09 4.950018e-08 -< Error: 3.230431e-09 8.790521e-08 -> Error: 3.230424e-09 8.790501e-08 +> Error: 1.819105e-09 4.950076e-08 < Error: 5.011284e-09 1.363651e-07 -> Error: 5.011248e-09 1.363641e-07 +> Error: 5.011277e-09 1.363649e-07 @@ -3851,6 +3893,8 @@ > Error: -1.769106e-07 -4.814022e-06 < Error: -1.493673e-07 -4.064525e-06 > Error: -1.493673e-07 -4.064524e-06 +< Error: -1.885110e-07 -5.129687e-06 +> Error: -1.885110e-07 -5.129686e-06 @@ -3863,6 +3907,8 @@ > Error: -1.769106e-07 -4.814022e-06 < Error: -1.493673e-07 -4.064525e-06 > Error: -1.493673e-07 -4.064524e-06 +< Error: -1.885110e-07 -5.129687e-06 +> Error: -1.885110e-07 -5.129686e-06 @@ -3875,6 +3921,8 @@ > Error: -1.769106e-07 -4.814022e-06 < Error: -1.493673e-07 -4.064525e-06 > Error: -1.493673e-07 -4.064524e-06 +< Error: -1.885110e-07 -5.129687e-06 +> Error: -1.885110e-07 -5.129686e-06 @@ -3893,9 +3941,9 @@ < Error: -1.769128e-07 -4.814080e-06 > Error: -1.769128e-07 -4.814081e-06 < Error: -1.943798e-07 -5.289386e-06 -> Error: -1.943799e-07 -5.289388e-06 -< Error: -1.493853e-07 -4.065012e-06 -> Error: -1.493853e-07 -4.065013e-06 +> Error: -1.943799e-07 -5.289387e-06 +< Error: -1.678035e-07 -4.566203e-06 +> Error: -1.678035e-07 -4.566202e-06 < Error: -1.885590e-07 -5.130991e-06 > Error: -1.885590e-07 -5.130993e-06 @@ -3909,11 +3957,11 @@ < Error: -1.769128e-07 -4.814080e-06 > Error: -1.769128e-07 -4.814081e-06 < Error: -1.943798e-07 -5.289386e-06 -> Error: -1.943799e-07 -5.289388e-06 -< Error: -1.493853e-07 -4.065012e-06 -> Error: -1.493853e-07 -4.065013e-06 +> Error: -1.943799e-07 -5.289387e-06 +< Error: -1.678035e-07 -4.566203e-06 +> Error: -1.678035e-07 -4.566202e-06 < Error: -1.885590e-07 -5.130991e-06 -> Error: -1.885590e-07 -5.130993e-06 +> Error: -1.885590e-07 -5.130992e-06 @@ -3925,11 +3973,11 @@ < Error: -1.769128e-07 -4.814080e-06 > Error: -1.769128e-07 -4.814081e-06 < Error: -1.943798e-07 -5.289386e-06 -> Error: -1.943799e-07 -5.289388e-06 -< Error: -1.493853e-07 -4.065012e-06 -> Error: -1.493853e-07 -4.065013e-06 +> Error: -1.943799e-07 -5.289387e-06 +< Error: -1.678035e-07 -4.566203e-06 +> Error: -1.678035e-07 -4.566202e-06 < Error: -1.885590e-07 -5.130991e-06 -> Error: -1.885590e-07 -5.130993e-06 +> Error: -1.885590e-07 -5.130992e-06 @@ -4039,13 +4087,13 @@ < Error: 1.803375e-10 4.907273e-09 > Error: 1.802380e-10 4.904566e-09 < Error: 7.215366e-10 1.963417e-08 -> Error: 7.214727e-10 1.963243e-08 +> Error: 7.214656e-10 1.963223e-08 < Error: 1.636071e-09 4.452011e-08 -> Error: 1.635993e-09 4.451798e-08 +> Error: 1.636007e-09 4.451837e-08 < Error: 2.906285e-09 7.908467e-08 -> Error: 2.906200e-09 7.908235e-08 +> Error: 2.906193e-09 7.908216e-08 < Error: 4.507811e-09 1.226648e-07 -> Error: 4.507733e-09 1.226626e-07 +> Error: 4.507740e-09 1.226628e-07 @@ -4057,13 +4105,13 @@ < Error: 1.803375e-10 4.907273e-09 > Error: 1.802380e-10 4.904566e-09 < Error: 7.215366e-10 1.963417e-08 -> Error: 7.214727e-10 1.963243e-08 +> Error: 7.214656e-10 1.963223e-08 < Error: 1.636071e-09 4.452011e-08 -> Error: 1.635993e-09 4.451798e-08 +> Error: 1.636007e-09 4.451837e-08 < Error: 2.906285e-09 7.908467e-08 -> Error: 2.906200e-09 7.908235e-08 +> Error: 2.906193e-09 7.908216e-08 < Error: 4.507811e-09 1.226648e-07 -> Error: 4.507733e-09 1.226626e-07 +> Error: 4.507740e-09 1.226628e-07 @@ -4075,13 +4123,13 @@ < Error: 1.803375e-10 4.907273e-09 > Error: 1.802380e-10 4.904566e-09 < Error: 7.215366e-10 1.963417e-08 -> Error: 7.214727e-10 1.963243e-08 +> Error: 7.214656e-10 1.963223e-08 < Error: 1.636071e-09 4.452011e-08 -> Error: 1.635993e-09 4.451798e-08 +> Error: 1.636007e-09 4.451837e-08 < Error: 2.906285e-09 7.908467e-08 -> Error: 2.906200e-09 7.908235e-08 +> Error: 2.906193e-09 7.908216e-08 < Error: 4.507811e-09 1.226648e-07 -> Error: 4.507733e-09 1.226626e-07 +> Error: 4.507740e-09 1.226628e-07 @@ -4098,7 +4146,7 @@ command: ../src/molds < c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat command: diff c2h6_pm3pddg_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.381869e-07 -3.760288e-06 -> Error: -1.381871e-07 -3.760291e-06 +> Error: -1.381871e-07 -3.760292e-06 < Error: -1.536693e-07 -4.181588e-06 > Error: -1.536694e-07 -4.181591e-06 < Error: -1.159956e-07 -3.156427e-06 @@ -4116,7 +4164,7 @@ command: ../src/molds < c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat command: diff c2h6_pm3pddg_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.381869e-07 -3.760288e-06 -> Error: -1.381871e-07 -3.760291e-06 +> Error: -1.381871e-07 -3.760292e-06 < Error: -1.536693e-07 -4.181588e-06 > Error: -1.536694e-07 -4.181591e-06 < Error: -1.159956e-07 -3.156427e-06 @@ -4134,7 +4182,7 @@ command: mpirun -np 2 ../src/molds c2h6_pm3pddg_directCIS_singlet_force.in > temp.dat command: diff c2h6_pm3pddg_directCIS_singlet_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: -1.381869e-07 -3.760288e-06 -> Error: -1.381871e-07 -3.760291e-06 +> Error: -1.381871e-07 -3.760292e-06 < Error: -1.536693e-07 -4.181588e-06 > Error: -1.536694e-07 -4.181591e-06 < Error: -1.159956e-07 -3.156427e-06 @@ -4162,8 +4210,10 @@ > Error: -1.381870e-07 -3.760289e-06 < Error: -1.536696e-07 -4.181595e-06 > Error: -1.536695e-07 -4.181594e-06 +< Error: -1.324459e-07 -3.604065e-06 +> Error: -1.324459e-07 -3.604066e-06 < Error: -1.510680e-07 -4.110801e-06 -> Error: -1.510679e-07 -4.110801e-06 +> Error: -1.510679e-07 -4.110800e-06 @@ -4176,8 +4226,10 @@ > Error: -1.381870e-07 -3.760289e-06 < Error: -1.536696e-07 -4.181595e-06 > Error: -1.536695e-07 -4.181594e-06 +< Error: -1.324459e-07 -3.604065e-06 +> Error: -1.324459e-07 -3.604066e-06 < Error: -1.510680e-07 -4.110801e-06 -> Error: -1.510679e-07 -4.110801e-06 +> Error: -1.510679e-07 -4.110800e-06 @@ -4190,8 +4242,10 @@ > Error: -1.381870e-07 -3.760289e-06 < Error: -1.536696e-07 -4.181595e-06 > Error: -1.536695e-07 -4.181594e-06 +< Error: -1.324459e-07 -3.604065e-06 +> Error: -1.324459e-07 -3.604066e-06 < Error: -1.510680e-07 -4.110801e-06 -> Error: -1.510679e-07 -4.110801e-06 +> Error: -1.510679e-07 -4.110800e-06 @@ -4207,6 +4261,8 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_steepest.in > temp.dat command: diff c2h6_pm3pddg_opt_steepest.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] +< Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925855e-04 4.869844e-02 +> Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925854e-04 4.869844e-02 < Energy difference: -9.285132e-07 [a.u.] > Energy difference: -9.285131e-07 [a.u.] @@ -4217,8 +4273,6 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6_pm3pddg_opt_steepest.in > temp.dat command: diff c2h6_pm3pddg_opt_steepest.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] -< Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925855e-04 4.869844e-02 -> Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925854e-04 4.869844e-02 @@ -4229,8 +4283,8 @@ command: diff c2h6_pm3pddg_opt_steepest.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925855e-04 4.869844e-02 > Core Dipole moment: -9.550199e-04 -1.913164e-02 3.905131e-04 1.915944e-02 -2.427419e-03 -4.862778e-02 9.925854e-04 4.869844e-02 -< Energy difference: -1.431517e-06 [a.u.] -> Energy difference: -1.431516e-06 [a.u.] +< Energy difference: -9.285132e-07 [a.u.] +> Energy difference: -9.285133e-07 [a.u.] @@ -4277,10 +4331,16 @@ command: diff c2h6_pm3pddg_opt_bfgs.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] > Initial trust radius: 0.300000 > Max size of the optimization step: 0.300000 +< actual energy change = -1.011309e-06 +> actual energy change = -1.011310e-06 +< Energy difference: -1.011309e-06 [a.u.] +> Energy difference: -1.011310e-06 [a.u.] < actual energy change = -6.340346e-07 -> actual energy change = -6.340348e-07 +> actual energy change = -6.340345e-07 +< actual/expected energy change = 1.404018 +> actual/expected energy change = 1.404017 < Energy difference: -6.340346e-07 [a.u.] -> Energy difference: -6.340348e-07 [a.u.] +> Energy difference: -6.340345e-07 [a.u.] @@ -4291,10 +4351,10 @@ command: diff c2h6_pm3pddg_opt_bfgs.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] > Initial trust radius: 0.300000 > Max size of the optimization step: 0.300000 -< actual energy change = -1.011309e-06 -> actual energy change = -1.011310e-06 -< Energy difference: -1.011309e-06 [a.u.] -> Energy difference: -1.011310e-06 [a.u.] +< actual energy change = -6.340346e-07 +> actual energy change = -6.340347e-07 +< Energy difference: -6.340346e-07 [a.u.] +> Energy difference: -6.340347e-07 [a.u.] @@ -4305,12 +4365,12 @@ command: diff c2h6_pm3pddg_opt_bfgs.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] > Initial trust radius: 0.300000 > Max size of the optimization step: 0.300000 -< actual/expected energy change = 1.426738 -> actual/expected energy change = 1.426739 +< Core Dipole moment: -7.398269e-03 -1.164726e-02 -1.521436e-04 1.379913e-02 -1.880453e-02 -2.960438e-02 -3.867106e-04 3.507391e-02 +> Core Dipole moment: -7.398269e-03 -1.164726e-02 -1.521436e-04 1.379913e-02 -1.880453e-02 -2.960438e-02 -3.867107e-04 3.507391e-02 < actual energy change = -6.340346e-07 -> actual energy change = -6.340347e-07 +> actual energy change = -6.340348e-07 < Energy difference: -6.340346e-07 [a.u.] -> Energy difference: -6.340347e-07 [a.u.] +> Energy difference: -6.340348e-07 [a.u.] @@ -4325,6 +4385,12 @@ OMP_NUM_THREADS:1 command: ../src/molds < c2h6_pm3pddg_opt_gediis.in > temp.dat command: diff c2h6_pm3pddg_opt_gediis.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] +< Core Dipole moment: 3.741490e-04 -5.709242e-02 1.743622e-02 5.969679e-02 9.509921e-04 -1.451145e-01 4.431846e-02 1.517341e-01 +> Core Dipole moment: 3.741490e-04 -5.709242e-02 1.743622e-02 5.969679e-02 9.509922e-04 -1.451145e-01 4.431846e-02 1.517341e-01 +< Total Dipole moment(SCF): -1.016516e-05 1.372784e-02 -1.345887e-03 1.379366e-02 -2.583728e-05 3.489269e-02 -3.420905e-03 3.505999e-02 +> Total Dipole moment(SCF): -1.016517e-05 1.372784e-02 -1.345887e-03 1.379366e-02 -2.583728e-05 3.489269e-02 -3.420905e-03 3.505999e-02 +< Core Dipole moment: -1.130113e-02 -1.234014e-02 3.090909e-04 1.673589e-02 -2.872460e-02 -3.136552e-02 7.856307e-04 4.253841e-02 +> Core Dipole moment: -1.130113e-02 -1.234014e-02 3.090909e-04 1.673589e-02 -2.872460e-02 -3.136552e-02 7.856308e-04 4.253841e-02 < actual/expected energy change = 1.400875 > actual/expected energy change = 1.400874 < actual energy change = -9.018689e-07 @@ -4341,6 +4407,8 @@ command: diff c2h6_pm3pddg_opt_gediis.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < actual/expected energy change = 1.400875 > actual/expected energy change = 1.400874 +< actual/expected energy change = 1.389589 +> actual/expected energy change = 1.389588 @@ -4417,15 +4485,15 @@ command: ../src/molds < c2h6_pm3pddg_rpmd.in > temp.dat command: diff c2h6_pm3pddg_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 5.540741e-10 1.507724e-08 -> Error 5.539036e-10 1.507260e-08 +> Error 5.539391e-10 1.507357e-08 < Error 2.215110e-09 6.027669e-08 -> Error 2.215074e-09 6.027572e-08 +> Error 2.215060e-09 6.027534e-08 < Error 4.979285e-09 1.354943e-07 -> Error 4.979164e-09 1.354910e-07 +> Error 4.979206e-09 1.354922e-07 < Error 8.839990e-09 2.405503e-07 -> Error 8.840004e-09 2.405507e-07 +> Error 8.840047e-09 2.405518e-07 < Error 1.378834e-08 3.752030e-07 -> Error 1.378825e-08 3.752004e-07 +> Error 1.378828e-08 3.752012e-07 @@ -4435,15 +4503,15 @@ command: ../src/molds < c2h6_pm3pddg_rpmd.in > temp.dat command: diff c2h6_pm3pddg_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 5.540741e-10 1.507724e-08 -> Error 5.539036e-10 1.507260e-08 +> Error 5.539391e-10 1.507357e-08 < Error 2.215110e-09 6.027669e-08 -> Error 2.215074e-09 6.027572e-08 +> Error 2.215060e-09 6.027534e-08 < Error 4.979285e-09 1.354943e-07 -> Error 4.979164e-09 1.354910e-07 +> Error 4.979206e-09 1.354922e-07 < Error 8.839990e-09 2.405503e-07 -> Error 8.840004e-09 2.405507e-07 +> Error 8.840047e-09 2.405518e-07 < Error 1.378834e-08 3.752030e-07 -> Error 1.378825e-08 3.752004e-07 +> Error 1.378828e-08 3.752012e-07 @@ -4453,15 +4521,15 @@ command: mpirun -np 2 ../src/molds c2h6_pm3pddg_rpmd.in > temp.dat command: diff c2h6_pm3pddg_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 5.540741e-10 1.507724e-08 -> Error 5.539036e-10 1.507260e-08 +> Error 5.539391e-10 1.507357e-08 < Error 2.215110e-09 6.027669e-08 -> Error 2.215074e-09 6.027572e-08 +> Error 2.215060e-09 6.027534e-08 < Error 4.979285e-09 1.354943e-07 -> Error 4.979164e-09 1.354910e-07 +> Error 4.979221e-09 1.354926e-07 < Error 8.839990e-09 2.405503e-07 -> Error 8.840004e-09 2.405507e-07 +> Error 8.840061e-09 2.405522e-07 < Error 1.378834e-08 3.752030e-07 -> Error 1.378825e-08 3.752004e-07 +> Error 1.378828e-08 3.752012e-07 @@ -4478,15 +4546,15 @@ command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat command: diff c2h6_pm3pddg_davidsonCIS_singlet_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 1.336531e-11 3.636915e-10 -> Error 1.354294e-11 3.685252e-10 +> Error 1.357847e-11 3.694920e-10 < Error 6.147616e-11 1.672865e-09 -> Error 6.142642e-11 1.671511e-09 +> Error 6.146195e-11 1.672478e-09 < Error 1.656701e-10 4.508150e-09 -> Error 1.656204e-10 4.506797e-09 +> Error 1.656488e-10 4.507570e-09 < Error 3.619363e-10 9.848866e-09 -> Error 3.619434e-10 9.849059e-09 +> Error 3.619789e-10 9.850026e-09 < Error 6.995009e-10 1.903454e-08 -> Error 6.994867e-10 1.903415e-08 +> Error 6.995080e-10 1.903473e-08 @@ -4496,15 +4564,15 @@ command: ../src/molds < c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat command: diff c2h6_pm3pddg_davidsonCIS_singlet_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 1.336531e-11 3.636915e-10 -> Error 1.354294e-11 3.685252e-10 +> Error 1.357847e-11 3.694920e-10 < Error 6.147616e-11 1.672865e-09 -> Error 6.142642e-11 1.671511e-09 +> Error 6.146195e-11 1.672478e-09 < Error 1.656701e-10 4.508150e-09 -> Error 1.656204e-10 4.506797e-09 +> Error 1.656488e-10 4.507570e-09 < Error 3.619363e-10 9.848866e-09 -> Error 3.619434e-10 9.849059e-09 +> Error 3.619789e-10 9.850026e-09 < Error 6.995009e-10 1.903454e-08 -> Error 6.994867e-10 1.903415e-08 +> Error 6.995080e-10 1.903473e-08 @@ -4514,15 +4582,13 @@ command: mpirun -np 2 ../src/molds c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in > temp.dat command: diff c2h6_pm3pddg_davidsonCIS_singlet_rpmd.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error 1.336531e-11 3.636915e-10 -> Error 1.354294e-11 3.685252e-10 +> Error 1.357847e-11 3.694920e-10 < Error 6.147616e-11 1.672865e-09 -> Error 6.142642e-11 1.671511e-09 +> Error 6.146195e-11 1.672478e-09 < Error 1.656701e-10 4.508150e-09 -> Error 1.656204e-10 4.506797e-09 +> Error 1.656417e-10 4.507377e-09 < Error 3.619363e-10 9.848866e-09 -> Error 3.619292e-10 9.848672e-09 -< Error 6.995009e-10 1.903454e-08 -> Error 6.994796e-10 1.903396e-08 +> Error 3.619789e-10 9.850026e-09 @@ -4598,15 +4664,15 @@ command: ../src/molds < c2h6_pm3_vdw_force.in > temp.dat command: diff c2h6_pm3_vdw_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.999307e-10 5.440436e-09 -> Error: 1.999236e-10 5.440242e-09 +> Error: 1.999378e-10 5.440629e-09 < Error: 7.976322e-10 2.170485e-08 -> Error: 7.976535e-10 2.170543e-08 +> Error: 7.976677e-10 2.170582e-08 < Error: 1.806463e-09 4.915674e-08 -> Error: 1.806640e-09 4.916157e-08 +> Error: 1.806654e-09 4.916196e-08 < Error: 3.207925e-09 8.729277e-08 -> Error: 3.207875e-09 8.729142e-08 +> Error: 3.207896e-09 8.729200e-08 < Error: 4.976553e-09 1.354200e-07 -> Error: 4.976570e-09 1.354205e-07 +> Error: 4.976584e-09 1.354208e-07 @@ -4616,15 +4682,15 @@ command: ../src/molds < c2h6_pm3_vdw_force.in > temp.dat command: diff c2h6_pm3_vdw_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.999307e-10 5.440436e-09 -> Error: 1.999236e-10 5.440242e-09 +> Error: 1.999378e-10 5.440629e-09 < Error: 7.976322e-10 2.170485e-08 -> Error: 7.976535e-10 2.170543e-08 +> Error: 7.976677e-10 2.170582e-08 < Error: 1.806463e-09 4.915674e-08 -> Error: 1.806640e-09 4.916157e-08 +> Error: 1.806654e-09 4.916196e-08 < Error: 3.207925e-09 8.729277e-08 -> Error: 3.207875e-09 8.729142e-08 +> Error: 3.207896e-09 8.729200e-08 < Error: 4.976553e-09 1.354200e-07 -> Error: 4.976570e-09 1.354205e-07 +> Error: 4.976592e-09 1.354210e-07 @@ -4634,15 +4700,15 @@ command: mpirun -np 2 ../src/molds c2h6_pm3_vdw_force.in > temp.dat command: diff c2h6_pm3_vdw_force.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] < Error: 1.999307e-10 5.440436e-09 -> Error: 1.999236e-10 5.440242e-09 +> Error: 1.999378e-10 5.440629e-09 < Error: 7.976322e-10 2.170485e-08 -> Error: 7.976535e-10 2.170543e-08 +> Error: 7.976677e-10 2.170582e-08 < Error: 1.806463e-09 4.915674e-08 -> Error: 1.806640e-09 4.916157e-08 +> Error: 1.806654e-09 4.916196e-08 < Error: 3.207925e-09 8.729277e-08 -> Error: 3.207875e-09 8.729142e-08 +> Error: 3.207896e-09 8.729200e-08 < Error: 4.976553e-09 1.354200e-07 -> Error: 4.976570e-09 1.354205e-07 +> Error: 4.976592e-09 1.354210e-07 @@ -4697,6 +4763,8 @@ OMP_NUM_THREADS:2 command: ../src/molds < c2h6-h2o-cluster_pm3pddg_freq.in > temp.dat command: diff c2h6-h2o-cluster_pm3pddg_freq.dat temp.dat | gawk '{if(($2!="SCF")&&($3!="iter")){print $0}}' | gawk '{if(($4!="time:")){print $0}}' | gawk '{if(($3!="Elapsed")){print $0}}' | gawk '{if(($2!="Elapsed")){print $0}}' | gawk '{if(($3!="Welcome")){print $0}}' | gawk '{if(($7!="residual")){print $0}}' | gawk '{if(($3!="mode(nmw):") ){print $0}}' | gawk '{if( !(($3=="mode(mw):")&&($4<6)) ){print $0}}' | gawk '{if(($3!="Heap:")){print $0}}' | egrep -v ^[-+]{3} | egrep ^[\<\>] +< Normal mode(mw): 16 5.022861e-03 1.102390e+03 -7.713088e-04 3.248627e-01 -1.875741e-01 2.528061e-04 -3.313865e-01 1.874060e-01 -4.170055e-01 -6.775789e-02 4.265411e-02 9.366652e-04 -5.178697e-02 3.091421e-02 4.166174e-01 -6.794952e-02 3.968568e-02 -4.088095e-01 6.730960e-02 -3.685456e-02 3.257352e-03 6.847591e-02 -3.735743e-02 4.070680e-01 6.706845e-02 -3.577617e-02 -3.529330e-04 -2.939476e-04 4.026484e-04 5.179981e-04 4.160579e-03 -2.429848e-03 6.140996e-04 4.174905e-03 -1.860216e-03 +> Normal mode(mw): 16 5.022861e-03 1.102390e+03 -7.713088e-04 3.248627e-01 -1.875741e-01 2.528060e-04 -3.313865e-01 1.874060e-01 -4.170055e-01 -6.775789e-02 4.265411e-02 9.366652e-04 -5.178697e-02 3.091421e-02 4.166174e-01 -6.794952e-02 3.968568e-02 -4.088095e-01 6.730960e-02 -3.685456e-02 3.257352e-03 6.847591e-02 -3.735743e-02 4.070680e-01 6.706845e-02 -3.577617e-02 -3.529330e-04 -2.939476e-04 4.026484e-04 5.179981e-04 4.160579e-03 -2.429848e-03 6.140996e-04 4.174905e-03 -1.860216e-03 @@ -4767,22 +4835,22 @@ < ./molds(main+0x6e2) [0x5f2ff6] < /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f234416d76d] < ./molds() [0x48f4f9] -> ../src/molds(+0x28273) [0x558512419273] -> ../src/molds(+0x2838c) [0x55851241938c] -> ../src/molds(+0x1462a) [0x55851240562a] -> ../src/molds(+0x3fa88) [0x558512430a88] -> ../src/molds(+0x730e0) [0x5585124640e0] -> ../src/molds(+0x733ca) [0x5585124643ca] -> ../src/molds(+0xc9ebd) [0x5585124baebd] -> ../src/molds(+0xca234) [0x5585124bb234] -> ../src/molds(+0xc98c5) [0x5585124ba8c5] -> ../src/molds(+0xd04a6) [0x5585124c14a6] -> ../src/molds(+0xe6fe6) [0x5585124d7fe6] -> ../src/molds(+0xe7530) [0x5585124d8530] -> ../src/molds(+0x2681b) [0x55851241781b] -> /lib/x86_64-linux-gnu/libc.so.6(+0x276ca) [0x7f4e5dca16ca] -> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x85) [0x7f4e5dca1785] -> ../src/molds(+0x268e1) [0x5585124178e1] +> ../src/molds(+0x28273) [0x56414f943273] +> ../src/molds(+0x2838c) [0x56414f94338c] +> ../src/molds(+0x1462a) [0x56414f92f62a] +> ../src/molds(+0x3fa88) [0x56414f95aa88] +> ../src/molds(+0x730e0) [0x56414f98e0e0] +> ../src/molds(+0x733ca) [0x56414f98e3ca] +> ../src/molds(+0xc9ebd) [0x56414f9e4ebd] +> ../src/molds(+0xca234) [0x56414f9e5234] +> ../src/molds(+0xc98c5) [0x56414f9e48c5] +> ../src/molds(+0xd04a6) [0x56414f9eb4a6] +> ../src/molds(+0xe6fe6) [0x56414fa01fe6] +> ../src/molds(+0xe7530) [0x56414fa02530] +> ../src/molds(+0x2681b) [0x56414f94181b] +> /lib/x86_64-linux-gnu/libc.so.6(+0x276ca) [0x7fb449f606ca] +> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x85) [0x7fb449f60785] +> ../src/molds(+0x268e1) [0x56414f9418e1] @@ -4807,22 +4875,22 @@ < ./molds(main+0x6e2) [0x5f2ff6] < /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xed) [0x7f234416d76d] < ./molds() [0x48f4f9] -> ../src/molds(+0x28273) [0x55a1a0236273] -> ../src/molds(+0x2838c) [0x55a1a023638c] -> ../src/molds(+0x1462a) [0x55a1a022262a] -> ../src/molds(+0x3fa88) [0x55a1a024da88] -> ../src/molds(+0x730e0) [0x55a1a02810e0] -> ../src/molds(+0x733ca) [0x55a1a02813ca] -> ../src/molds(+0xc9ebd) [0x55a1a02d7ebd] -> ../src/molds(+0xca234) [0x55a1a02d8234] -> ../src/molds(+0xc98c5) [0x55a1a02d78c5] -> ../src/molds(+0xd04a6) [0x55a1a02de4a6] -> ../src/molds(+0xe6fe6) [0x55a1a02f4fe6] -> ../src/molds(+0xe7530) [0x55a1a02f5530] -> ../src/molds(+0x2681b) [0x55a1a023481b] -> /lib/x86_64-linux-gnu/libc.so.6(+0x276ca) [0x7fa2c5c496ca] -> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x85) [0x7fa2c5c49785] -> ../src/molds(+0x268e1) [0x55a1a02348e1] +> ../src/molds(+0x28273) [0x5580ff17d273] +> ../src/molds(+0x2838c) [0x5580ff17d38c] +> ../src/molds(+0x1462a) [0x5580ff16962a] +> ../src/molds(+0x3fa88) [0x5580ff194a88] +> ../src/molds(+0x730e0) [0x5580ff1c80e0] +> ../src/molds(+0x733ca) [0x5580ff1c83ca] +> ../src/molds(+0xc9ebd) [0x5580ff21eebd] +> ../src/molds(+0xca234) [0x5580ff21f234] +> ../src/molds(+0xc98c5) [0x5580ff21e8c5] +> ../src/molds(+0xd04a6) [0x5580ff2254a6] +> ../src/molds(+0xe6fe6) [0x5580ff23bfe6] +> ../src/molds(+0xe7530) [0x5580ff23c530] +> ../src/molds(+0x2681b) [0x5580ff17b81b] +> /lib/x86_64-linux-gnu/libc.so.6(+0x276ca) [0x7fdaa0e316ca] +> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x85) [0x7fdaa0e31785] +> ../src/molds(+0x268e1) [0x5580ff17b8e1] @@ -4867,8 +4935,8 @@ dpkg-gencontrol: warning: unknown information field 'Dm-Upload-Allowed' in input data in source package stanza of template control file dh_md5sums dh_builddeb -dpkg-deb: building package 'molds-dbgsym' in '../molds-dbgsym_0.3.1-1_amd64.deb'. dpkg-deb: building package 'molds' in '../molds_0.3.1-1_amd64.deb'. +dpkg-deb: building package 'molds-dbgsym' in '../molds-dbgsym_0.3.1-1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../molds_0.3.1-1_amd64.buildinfo dpkg-genchanges --build=binary -O../molds_0.3.1-1_amd64.changes dpkg-genchanges: warning: unknown information field 'Dm-Upload-Allowed' in input data in source package stanza of template control file @@ -4879,12 +4947,14 @@ dpkg-genchanges: warning: unknown information field 'Dm-Upload-Allowed' in input data in source package stanza of template control file dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/1140540/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1140540/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/2602562 and its subdirectories -I: Current time: Sat May 4 23:19:46 -12 2024 -I: pbuilder-time-stamp: 1714907986 +I: removing directory /srv/workspace/pbuilder/1140540 and its subdirectories +I: Current time: Sun Jun 8 07:52:51 +14 2025 +I: pbuilder-time-stamp: 1749318771