Diff of the two buildlogs: -- --- b1/build.log 2024-01-07 01:31:58.244120786 +0000 +++ b2/build.log 2024-01-07 01:43:05.282501052 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri Feb 7 19:46:52 -12 2025 -I: pbuilder-time-stamp: 1739000812 +I: Current time: Sun Jan 7 15:32:02 +14 2024 +I: pbuilder-time-stamp: 1704591122 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bullseye-reproducible-base.tgz] I: copying local configuration @@ -17,7 +17,7 @@ I: copying [./python-ase_3.21.1-2.debian.tar.xz] I: Extracting source gpgv: unknown type of key resource 'trustedkeys.kbx' -gpgv: keyblock resource '/tmp/dpkg-verify-sig.mezZh5mn/trustedkeys.kbx': General error +gpgv: keyblock resource '/tmp/dpkg-verify-sig.klBQ0AQl/trustedkeys.kbx': General error gpgv: Signature made Fri Jan 29 07:24:34 2021 gpgv: using RSA key 772292F6F7AC85FAE041D41EE5F43F9C2734F287 gpgv: issuer "merkys@debian.org" @@ -32,49 +32,80 @@ dpkg-source: info: applying increase-test-tolerance.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2433277/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/161463/tmp/hooks/D01_modify_environment starting +debug: Running on codethink02-arm64. +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 Jan 7 01:32 /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/161463/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/161463/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='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="1" [2]="4" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.1.4(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all,-fixfilepath parallel=12 ' - DISTRIBUTION='bullseye' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=bullseye + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='60a0010443e047cc844f555156763a11' - 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='2433277' - PS1='# ' - PS2='> ' + INVOCATION_ID=46290850c5ab445c93554f8569422caa + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-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=161463 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.EdLleOGo/pbuilderrc_suvy --distribution bullseye --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.EdLleOGo/b1 --logfile b1/build.log python-ase_3.21.1-2.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.104:3128' + 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.EdLleOGo/pbuilderrc_QCum --distribution bullseye --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.EdLleOGo/b2 --logfile b2/build.log python-ase_3.21.1-2.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.104:3128 I: uname -a - Linux codethink03-arm64 6.1.0-17-cloud-arm64 #1 SMP Debian 6.1.69-1 (2023-12-30) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-17-cloud-arm64 #1 SMP Debian 6.1.69-1 (2023-12-30) aarch64 GNU/Linux I: ls -l /bin total 5252 -rwxr-xr-x 1 root root 1282512 Mar 27 2022 bash @@ -134,7 +165,7 @@ -rwxr-xr-x 1 root root 43880 Sep 22 2020 rmdir -rwxr-xr-x 1 root root 19208 Sep 27 2020 run-parts -rwxr-xr-x 1 root root 114016 Dec 22 2018 sed - lrwxrwxrwx 1 root root 4 Jan 8 15:47 sh -> dash + lrwxrwxrwx 1 root root 9 Jan 7 01:32 sh -> /bin/bash -rwxr-xr-x 1 root root 35656 Sep 22 2020 sleep -rwxr-xr-x 1 root root 72640 Sep 22 2020 stty -rwsr-xr-x 1 root root 67776 Jan 20 2022 su @@ -160,7 +191,7 @@ -rwxr-xr-x 1 root root 2206 Apr 10 2022 zless -rwxr-xr-x 1 root root 1842 Apr 10 2022 zmore -rwxr-xr-x 1 root root 4577 Apr 10 2022 znew -I: user script /srv/workspace/pbuilder/2433277/tmp/hooks/D02_print_environment finished +I: user script /srv/workspace/pbuilder/161463/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -413,7 +444,7 @@ Get: 181 http://deb.debian.org/debian bullseye/main arm64 sphinx-rtd-theme-common all 0.5.1+dfsg-1 [995 kB] Get: 182 http://deb.debian.org/debian bullseye/main arm64 python3-sphinx-rtd-theme all 0.5.1+dfsg-1 [20.9 kB] Get: 183 http://deb.debian.org/debian bullseye/main arm64 python3-tk arm64 3.9.2-1 [100 kB] -Fetched 80.9 MB in 1s (72.9 MB/s) +Fetched 80.9 MB in 10s (7913 kB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package bsdextrautils. (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 ... 17734 files and directories currently installed.) @@ -1005,8 +1036,8 @@ Setting up tzdata (2021a-1+deb11u10) ... Current default time zone: 'Etc/UTC' -Local time is now: Sat Feb 8 07:47:18 UTC 2025. -Universal Time is now: Sat Feb 8 07:47:18 UTC 2025. +Local time is now: Sun Jan 7 01:33:36 UTC 2024. +Universal Time is now: Sun Jan 7 01:33:36 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libopenexr25:arm64 (2.5.4-2+deb11u1) ... @@ -1197,7 +1228,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/python-ase-3.21.1/ && 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 > ../python-ase_3.21.1-2_source.changes +I: user script /srv/workspace/pbuilder/161463/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for bullseye +I: user script /srv/workspace/pbuilder/161463/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/python-ase-3.21.1/ && 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 > ../python-ase_3.21.1-2_source.changes dpkg-buildpackage: info: source package python-ase dpkg-buildpackage: info: source version 3.21.1-2 dpkg-buildpackage: info: source distribution unstable @@ -4160,7 +4195,7 @@ vibrations/test_placzek.py::test_compare_placzek_implementation_intensities PASSED [ 99%] vibrations/test_profeta_albrecht.py::test_compare_placzek_albrecht_intensities PASSED [100%] -=========== 1446 passed, 303 skipped, 3 xfailed in 161.30s (0:02:41) =========== +=========== 1446 passed, 303 skipped, 3 xfailed in 179.67s (0:02:59) =========== make[1]: Leaving directory '/build/reproducible-path/python-ase-3.21.1' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild @@ -4283,22 +4318,22 @@ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/counterions.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/autodetect.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/abinit.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/mopac.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/general.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/castep.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/crystal.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/orca.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/psi4.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/exciting.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/dftd3.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/dmol.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/demonnano.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/onetep.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/psi4.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/gamess_us.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/gulp.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/dftd3.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/qchem.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/fleur.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/acemolecule.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/crystal.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/gulp.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/mopac.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/orca.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/gamess_us.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/general.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/castep.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/fleur.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/onetep.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/ff.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/mixing.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/calculators/__pycache__/idealgas.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/calculators/__pycache__ @@ -4860,12 +4895,12 @@ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/aff.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/espresso.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/proteindatabank.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/castep.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/orca.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/exciting.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/dmol.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ -copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/gamess_us.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/acemolecule.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/orca.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/gamess_us.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ +copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/castep.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/wannier90.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/vasp.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.21.1/.pybuild/cpython3_3.9_ase/build/ase/io/__pycache__/siesta.cpython-39.pyc -> /build/reproducible-path/python-ase-3.21.1/debian/python3-ase/usr/lib/python3.9/dist-packages/ase/io/__pycache__ @@ -7376,73 +7411,73 @@ make[1]: Entering directory '/build/reproducible-path/python-ase-3.21.1' PYTHONPATH=./doc/ python3 -m sphinx -b html doc debian/python-ase-doc/usr/share/doc/python-ase-doc/html Running Sphinx v3.4.3 -Matplotlib created a temporary config/cache directory at /tmp/matplotlib-6ado08uc because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +Matplotlib created a temporary config/cache directory at /tmp/matplotlib-3d4ep4uj because the default path (/nonexistent/second-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. running: ./doc/ase/xrdebye.py ./doc/ase saxs.png ./doc/ase xrd.png running: ./doc/ase/precon.py -PreconLBFGS: 0 19:50:44 11.881544 5.0770 -PreconLBFGS: 1 19:50:44 8.230006 3.1725 -PreconLBFGS: 2 19:50:44 6.434215 2.4099 -PreconLBFGS: 3 19:50:44 4.880166 1.7857 -PreconLBFGS: 4 19:50:44 3.605357 1.2634 -PreconLBFGS: 5 19:50:44 2.615136 0.9398 -PreconLBFGS: 6 19:50:45 1.899866 0.7232 -PreconLBFGS: 7 19:50:45 1.293481 0.5623 -PreconLBFGS: 8 19:50:45 1.189910 0.5356 -PreconLBFGS: 9 19:50:45 1.012954 0.4268 -PreconLBFGS: 10 19:50:45 0.774599 0.2488 -PreconLBFGS: 11 19:50:45 0.748215 0.2252 -PreconLBFGS: 12 19:50:46 0.716786 0.1754 -PreconLBFGS: 13 19:50:46 0.696647 0.1359 -PreconLBFGS: 14 19:50:46 0.671818 0.1199 -PreconLBFGS: 15 19:50:46 0.662553 0.0923 -PreconLBFGS: 16 19:50:46 0.656969 0.0887 -PreconLBFGS: 17 19:50:47 0.651271 0.0727 -PreconLBFGS: 18 19:50:47 0.645026 0.0665 -PreconLBFGS: 19 19:50:47 0.641267 0.0527 -PreconLBFGS: 20 19:50:47 0.639566 0.0443 -PreconLBFGS: 21 19:50:47 0.638366 0.0341 -PreconLBFGS: 22 19:50:47 0.636998 0.0281 -PreconLBFGS: 23 19:50:48 0.635896 0.0245 -PreconLBFGS: 24 19:50:48 0.635551 0.0187 -PreconLBFGS: 25 19:50:48 0.635271 0.0153 -PreconLBFGS: 26 19:50:48 0.635113 0.0119 -PreconLBFGS: 27 19:50:48 0.634786 0.0081 -PreconLBFGS: 28 19:50:48 0.634732 0.0079 -PreconLBFGS: 29 19:50:49 0.634670 0.0073 -PreconLBFGS: 30 19:50:49 0.634594 0.0074 -PreconLBFGS: 31 19:50:49 0.634554 0.0055 -PreconLBFGS: 32 19:50:49 0.634519 0.0049 -PreconLBFGS: 33 19:50:49 0.634507 0.0048 -PreconLBFGS: 34 19:50:49 0.634480 0.0035 -PreconLBFGS: 35 19:50:50 0.634467 0.0031 -PreconLBFGS: 36 19:50:50 0.634461 0.0026 -PreconLBFGS: 37 19:50:50 0.634458 0.0020 -PreconLBFGS: 38 19:50:50 0.634454 0.0015 -PreconLBFGS: 39 19:50:50 0.634451 0.0012 -PreconLBFGS: 40 19:50:50 0.634450 0.0010 -PreconLBFGS: 41 19:50:51 0.634449 0.0008 -PreconLBFGS: 0 19:50:51 11.881544 5.0770 -PreconLBFGS: 1 19:50:51 9.794004 4.0022 -PreconLBFGS: 2 19:50:51 7.255200 3.4746 -PreconLBFGS: 3 19:50:51 5.549106 2.7617 -PreconLBFGS: 4 19:50:52 4.035108 2.2864 -PreconLBFGS: 5 19:50:52 2.863264 1.7975 -PreconLBFGS: 6 19:50:52 1.959784 1.3794 -PreconLBFGS: 7 19:50:52 1.320358 0.9968 -PreconLBFGS: 8 19:50:52 0.915396 0.6498 -PreconLBFGS: 9 19:50:53 0.661456 0.1398 -PreconLBFGS: 10 19:50:53 0.648887 0.0729 -PreconLBFGS: 11 19:50:53 0.637267 0.0277 -PreconLBFGS: 12 19:50:53 0.635899 0.0211 -PreconLBFGS: 13 19:50:53 0.634980 0.0153 -PreconLBFGS: 14 19:50:53 0.634676 0.0073 -PreconLBFGS: 15 19:50:54 0.634541 0.0032 -PreconLBFGS: 16 19:50:54 0.634478 0.0026 -PreconLBFGS: 17 19:50:54 0.634460 0.0020 -PreconLBFGS: 18 19:50:54 0.634452 0.0011 -PreconLBFGS: 19 19:50:54 0.634449 0.0008 +PreconLBFGS: 0 15:38:20 11.881544 5.0770 +PreconLBFGS: 1 15:38:20 8.230006 3.1725 +PreconLBFGS: 2 15:38:20 6.434215 2.4099 +PreconLBFGS: 3 15:38:21 4.880166 1.7857 +PreconLBFGS: 4 15:38:21 3.605357 1.2634 +PreconLBFGS: 5 15:38:21 2.615136 0.9398 +PreconLBFGS: 6 15:38:21 1.899866 0.7232 +PreconLBFGS: 7 15:38:21 1.293481 0.5623 +PreconLBFGS: 8 15:38:22 1.189910 0.5356 +PreconLBFGS: 9 15:38:22 1.012954 0.4268 +PreconLBFGS: 10 15:38:22 0.774599 0.2488 +PreconLBFGS: 11 15:38:22 0.748215 0.2252 +PreconLBFGS: 12 15:38:22 0.716786 0.1754 +PreconLBFGS: 13 15:38:22 0.696647 0.1359 +PreconLBFGS: 14 15:38:23 0.671818 0.1199 +PreconLBFGS: 15 15:38:23 0.662553 0.0923 +PreconLBFGS: 16 15:38:23 0.656969 0.0887 +PreconLBFGS: 17 15:38:23 0.651271 0.0727 +PreconLBFGS: 18 15:38:23 0.645026 0.0665 +PreconLBFGS: 19 15:38:23 0.641267 0.0527 +PreconLBFGS: 20 15:38:24 0.639566 0.0443 +PreconLBFGS: 21 15:38:24 0.638366 0.0341 +PreconLBFGS: 22 15:38:24 0.636998 0.0281 +PreconLBFGS: 23 15:38:24 0.635896 0.0245 +PreconLBFGS: 24 15:38:24 0.635551 0.0187 +PreconLBFGS: 25 15:38:24 0.635271 0.0153 +PreconLBFGS: 26 15:38:25 0.635113 0.0119 +PreconLBFGS: 27 15:38:25 0.634786 0.0081 +PreconLBFGS: 28 15:38:25 0.634732 0.0079 +PreconLBFGS: 29 15:38:25 0.634670 0.0073 +PreconLBFGS: 30 15:38:25 0.634594 0.0074 +PreconLBFGS: 31 15:38:26 0.634554 0.0055 +PreconLBFGS: 32 15:38:26 0.634519 0.0049 +PreconLBFGS: 33 15:38:26 0.634507 0.0048 +PreconLBFGS: 34 15:38:26 0.634480 0.0035 +PreconLBFGS: 35 15:38:26 0.634467 0.0031 +PreconLBFGS: 36 15:38:26 0.634461 0.0026 +PreconLBFGS: 37 15:38:27 0.634458 0.0020 +PreconLBFGS: 38 15:38:27 0.634454 0.0015 +PreconLBFGS: 39 15:38:27 0.634451 0.0012 +PreconLBFGS: 40 15:38:27 0.634450 0.0010 +PreconLBFGS: 41 15:38:27 0.634449 0.0008 +PreconLBFGS: 0 15:38:27 11.881544 5.0770 +PreconLBFGS: 1 15:38:28 9.794004 4.0022 +PreconLBFGS: 2 15:38:28 7.255200 3.4746 +PreconLBFGS: 3 15:38:28 5.549106 2.7617 +PreconLBFGS: 4 15:38:28 4.035108 2.2864 +PreconLBFGS: 5 15:38:28 2.863264 1.7975 +PreconLBFGS: 6 15:38:29 1.959784 1.3794 +PreconLBFGS: 7 15:38:29 1.320358 0.9968 +PreconLBFGS: 8 15:38:29 0.915396 0.6498 +PreconLBFGS: 9 15:38:29 0.661456 0.1398 +PreconLBFGS: 10 15:38:29 0.648887 0.0729 +PreconLBFGS: 11 15:38:30 0.637267 0.0277 +PreconLBFGS: 12 15:38:30 0.635899 0.0211 +PreconLBFGS: 13 15:38:30 0.634980 0.0153 +PreconLBFGS: 14 15:38:30 0.634676 0.0073 +PreconLBFGS: 15 15:38:30 0.634541 0.0032 +PreconLBFGS: 16 15:38:31 0.634478 0.0026 +PreconLBFGS: 17 15:38:31 0.634460 0.0020 +PreconLBFGS: 18 15:38:31 0.634452 0.0011 +PreconLBFGS: 19 15:38:31 0.634449 0.0008 ./doc/ase precon.png running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png @@ -7454,7 +7489,7 @@ Writing phonon.0y+.pckl Writing phonon.0z-.pckl Writing phonon.0z+.pckl -sh: 1: pdflatex: not found +sh: line 1: pdflatex: command not found WARNING, 2 imaginary frequencies at q = ( 0.00, 0.00, 0.00) ; (omega_q = 8.128e-09*i) WARNING, 2 imaginary frequencies at q = ( 0.00, 0.00, 0.00) ; (omega_q = 8.128e-09*i) ./doc/ase Al_phonon.png @@ -7573,15 +7608,15 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 19:51:13 1.419426 9.8029 -BFGS: 1 19:51:13 2.139894 7.9322 -BFGS: 2 19:51:13 1.280719 4.9902 -BFGS: 3 19:51:13 2.298637 21.4603 -BFGS: 4 19:51:13 1.122419 2.7684 -BFGS: 5 19:51:13 1.081517 1.3439 -BFGS: 6 19:51:13 1.070848 0.2363 -BFGS: 7 19:51:13 1.070543 0.0157 -BFGS: 8 19:51:13 1.070541 0.0002 +BFGS: 0 15:38:50 1.419426 9.8029 +BFGS: 1 15:38:50 2.139894 7.9322 +BFGS: 2 15:38:50 1.280719 4.9902 +BFGS: 3 15:38:50 2.298637 21.4603 +BFGS: 4 15:38:50 1.122419 2.7684 +BFGS: 5 15:38:50 1.081517 1.3439 +BFGS: 6 15:38:50 1.070848 0.2363 +BFGS: 7 15:38:50 1.070543 0.0157 +BFGS: 8 15:38:50 1.070541 0.0002 Traceback (most recent call last): File "/build/reproducible-path/python-ase-3.21.1/ase/utils/sphinx.py", line 141, in create_png_files runpy.run_path(pyname) @@ -7759,9 +7794,9 @@ running: ./doc/gettingstarted/surface.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:36 11.689927* 1.0797 -BFGSLineSearch: 1[ 2] 19:52:36 11.670814* 0.4090 -BFGSLineSearch: 2[ 4] 19:52:36 11.625880* 0.0409 +BFGSLineSearch: 0[ 0] 15:40:15 11.689927* 1.0797 +BFGSLineSearch: 1[ 2] 15:40:15 11.670814* 0.4090 +BFGSLineSearch: 2[ 4] 15:40:16 11.625880* 0.0409 Adsorption energy: 0.3235194223180855 ./doc/gettingstarted surface.png running: ./doc/gettingstarted/manipulating_atoms/manipulating_atoms.py @@ -7779,92 +7814,92 @@ True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:37 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 19:52:37 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 19:52:37 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 19:52:37 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 15:40:17 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 15:40:17 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 15:40:17 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 15:40:17 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:37 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 19:52:37 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 19:52:37 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 19:52:37 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 15:40:17 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 15:40:17 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 15:40:17 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 15:40:17 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 19:52:37 4.969997 1.0132 -MDMin: 1 19:52:37 4.922173 0.8526 -MDMin: 2 19:52:38 4.833353 0.4715 -MDMin: 3 19:52:38 4.783147 0.1445 -MDMin: 4 19:52:38 4.762840 0.1083 -MDMin: 5 19:52:38 4.748802 0.1243 -MDMin: 6 19:52:38 4.738339 0.1125 -MDMin: 7 19:52:38 4.734398 0.1373 -MDMin: 8 19:52:38 4.733206 0.1291 -MDMin: 9 19:52:38 4.730681 0.1066 -MDMin: 10 19:52:38 4.728545 0.0796 -MDMin: 11 19:52:38 4.726697 0.0670 -MDMin: 12 19:52:38 4.724795 0.0553 -MDMin: 13 19:52:38 4.723081 0.0394 +MDMin: 0 15:40:17 4.969997 1.0132 +MDMin: 1 15:40:17 4.922173 0.8526 +MDMin: 2 15:40:17 4.833353 0.4715 +MDMin: 3 15:40:17 4.783147 0.1445 +MDMin: 4 15:40:17 4.762840 0.1083 +MDMin: 5 15:40:17 4.748802 0.1243 +MDMin: 6 15:40:18 4.738339 0.1125 +MDMin: 7 15:40:18 4.734398 0.1373 +MDMin: 8 15:40:18 4.733206 0.1291 +MDMin: 9 15:40:18 4.730681 0.1066 +MDMin: 10 15:40:18 4.728545 0.0796 +MDMin: 11 15:40:18 4.726697 0.0670 +MDMin: 12 15:40:18 4.724795 0.0553 +MDMin: 13 15:40:18 4.723081 0.0394 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:38 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 19:52:38 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 19:52:38 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 19:52:38 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 15:40:18 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 15:40:18 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 15:40:18 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 15:40:18 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:38 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 19:52:39 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 19:52:39 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 19:52:39 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 15:40:18 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 15:40:18 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 15:40:18 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 15:40:18 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 19:52:39 7.907337 7.4468 -MDMin: 1 19:52:39 6.168331 3.6842 -MDMin: 2 19:52:39 5.447472 1.0574 -MDMin: 3 19:52:39 5.396259 0.8197 -MDMin: 4 19:52:39 5.309107 0.5214 -MDMin: 5 19:52:39 5.249202 0.4171 -MDMin: 6 19:52:39 5.211870 0.1746 -MDMin: 7 19:52:39 5.193370 0.2491 -MDMin: 8 19:52:39 5.186767 0.1250 -MDMin: 9 19:52:39 5.184593 0.0800 -MDMin: 10 19:52:39 5.182310 0.0874 -MDMin: 11 19:52:39 5.179945 0.0682 -MDMin: 12 19:52:40 5.177732 0.0547 -MDMin: 13 19:52:40 5.175962 0.0309 +MDMin: 0 15:40:18 7.907337 7.4468 +MDMin: 1 15:40:18 6.168331 3.6842 +MDMin: 2 15:40:19 5.447472 1.0574 +MDMin: 3 15:40:19 5.396259 0.8197 +MDMin: 4 15:40:19 5.309107 0.5214 +MDMin: 5 15:40:19 5.249202 0.4171 +MDMin: 6 15:40:19 5.211870 0.1746 +MDMin: 7 15:40:19 5.193370 0.2491 +MDMin: 8 15:40:19 5.186767 0.1250 +MDMin: 9 15:40:19 5.184593 0.0800 +MDMin: 10 15:40:19 5.182310 0.0874 +MDMin: 11 15:40:19 5.179945 0.0682 +MDMin: 12 15:40:19 5.177732 0.0547 +MDMin: 13 15:40:19 5.175962 0.0309 [ True True False False True True False False True True False False True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:40 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 19:52:40 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 19:52:40 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 19:52:40 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 15:40:19 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 15:40:19 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 15:40:19 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 15:40:19 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:40 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 19:52:40 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 19:52:40 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 19:52:40 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 15:40:19 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 15:40:19 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 15:40:20 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 15:40:20 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 19:52:40 5.433815 1.1528 -MDMin: 1 19:52:40 5.352153 1.0378 -MDMin: 2 19:52:40 5.179224 0.7749 -MDMin: 3 19:52:40 5.033743 0.4672 -MDMin: 4 19:52:40 4.952170 0.2689 -MDMin: 5 19:52:40 4.905035 0.1593 -MDMin: 6 19:52:40 4.877860 0.1282 -MDMin: 7 19:52:40 4.868891 0.1395 -MDMin: 8 19:52:40 4.868163 0.1307 -MDMin: 9 19:52:41 4.866419 0.1103 -MDMin: 10 19:52:41 4.864367 0.0944 -MDMin: 11 19:52:41 4.862194 0.0893 -MDMin: 12 19:52:41 4.859895 0.0854 -MDMin: 13 19:52:41 4.857565 0.0801 -MDMin: 14 19:52:41 4.855300 0.0720 -MDMin: 15 19:52:41 4.853137 0.0588 -MDMin: 16 19:52:41 4.851083 0.0461 +MDMin: 0 15:40:20 5.433815 1.1528 +MDMin: 1 15:40:20 5.352153 1.0378 +MDMin: 2 15:40:20 5.179224 0.7749 +MDMin: 3 15:40:20 5.033743 0.4672 +MDMin: 4 15:40:20 4.952170 0.2689 +MDMin: 5 15:40:20 4.905035 0.1593 +MDMin: 6 15:40:20 4.877860 0.1282 +MDMin: 7 15:40:20 4.868891 0.1395 +MDMin: 8 15:40:20 4.868163 0.1307 +MDMin: 9 15:40:20 4.866419 0.1103 +MDMin: 10 15:40:20 4.864367 0.0944 +MDMin: 11 15:40:20 4.862194 0.0893 +MDMin: 12 15:40:21 4.859895 0.0854 +MDMin: 13 15:40:21 4.857565 0.0801 +MDMin: 14 15:40:21 4.855300 0.0720 +MDMin: 15 15:40:21 4.853137 0.0588 +MDMin: 16 15:40:21 4.851083 0.0461 ./doc/tutorials test.txt running: ./doc/tutorials/saving_graphics.py ./doc/tutorials nice.png @@ -7873,38 +7908,38 @@ running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:43 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 19:52:43 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 15:40:22 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 15:40:23 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:43 3.730166* 1.6460 -BFGSLineSearch: 1[ 2] 19:52:43 3.546230* 0.2605 -BFGSLineSearch: 2[ 4] 19:52:43 3.513795* 0.1080 -BFGSLineSearch: 3[ 6] 19:52:43 3.502279* 0.0500 +BFGSLineSearch: 0[ 0] 15:40:23 3.730166* 1.6460 +BFGSLineSearch: 1[ 2] 15:40:23 3.546230* 0.2605 +BFGSLineSearch: 2[ 4] 15:40:23 3.513795* 0.1080 +BFGSLineSearch: 3[ 6] 15:40:23 3.502279* 0.0500 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:43 3.764262* 1.0444 -BFGSLineSearch: 1[ 2] 19:52:43 3.708446* 0.1203 -BFGSLineSearch: 2[ 4] 19:52:43 3.695835* 0.0668 -BFGSLineSearch: 3[ 6] 19:52:43 3.691660* 0.0618 -BFGSLineSearch: 4[ 7] 19:52:43 3.690089* 0.0300 +BFGSLineSearch: 0[ 0] 15:40:23 3.764262* 1.0444 +BFGSLineSearch: 1[ 2] 15:40:23 3.708446* 0.1203 +BFGSLineSearch: 2[ 4] 15:40:23 3.695835* 0.0668 +BFGSLineSearch: 3[ 6] 15:40:23 3.691660* 0.0618 +BFGSLineSearch: 4[ 7] 15:40:23 3.690089* 0.0300 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:43 3.580034* 0.6521 -BFGSLineSearch: 1[ 1] 19:52:43 3.544894* 0.1627 -BFGSLineSearch: 2[ 3] 19:52:43 3.516850* 0.1946 -BFGSLineSearch: 3[ 4] 19:52:43 3.508545* 0.1325 -BFGSLineSearch: 4[ 5] 19:52:43 3.503316* 0.1022 -BFGSLineSearch: 5[ 6] 19:52:43 3.500392* 0.0550 -BFGSLineSearch: 6[ 8] 19:52:43 3.499584* 0.0392 +BFGSLineSearch: 0[ 0] 15:40:23 3.580034* 0.6521 +BFGSLineSearch: 1[ 1] 15:40:23 3.544894* 0.1627 +BFGSLineSearch: 2[ 3] 15:40:23 3.516850* 0.1946 +BFGSLineSearch: 3[ 4] 15:40:23 3.508545* 0.1325 +BFGSLineSearch: 4[ 5] 15:40:23 3.503316* 0.1022 +BFGSLineSearch: 5[ 6] 15:40:23 3.500392* 0.0550 +BFGSLineSearch: 6[ 8] 15:40:23 3.499584* 0.0392 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:52:43 3.463634* 0.5332 -BFGSLineSearch: 1[ 2] 19:52:43 3.356702* 0.4028 -BFGSLineSearch: 2[ 3] 19:52:43 3.333298* 0.1536 -BFGSLineSearch: 3[ 4] 19:52:43 3.322604* 0.1003 -BFGSLineSearch: 4[ 5] 19:52:43 3.318477* 0.0658 -BFGSLineSearch: 5[ 6] 19:52:43 3.316534* 0.0483 +BFGSLineSearch: 0[ 0] 15:40:23 3.463634* 0.5332 +BFGSLineSearch: 1[ 2] 15:40:23 3.356702* 0.4028 +BFGSLineSearch: 2[ 3] 15:40:23 3.333298* 0.1536 +BFGSLineSearch: 3[ 4] 15:40:23 3.322604* 0.1003 +BFGSLineSearch: 4[ 5] 15:40:23 3.318477* 0.0658 +BFGSLineSearch: 5[ 6] 15:40:23 3.316534* 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -7949,585 +7984,583 @@ Creating and evaluating generation 9 Creating and evaluating generation 10 Species: Cu, Pt -References: 524 +References: 522 0 Cu24 -0.000 1 Pt24 -0.000 -2 Cu23Pt -0.359 -3 Cu4Pt20 -0.751 -4 Cu8Pt16 -1.545 -5 Cu20Pt4 -1.208 -6 Cu23Pt -0.309 -7 Cu12Pt12 -2.026 -8 Cu14Pt10 -1.760 -9 CuPt23 -0.224 -10 Cu10Pt14 -1.617 -11 Cu2Pt22 -0.509 -12 Cu13Pt11 -2.061 -13 Cu8Pt16 -1.315 -14 Cu2Pt22 -0.444 -15 Cu3Pt21 -0.667 -16 Cu5Pt19 -1.203 -17 Cu13Pt11 -1.392 -18 Cu11Pt13 -1.704 -19 Cu2Pt22 -0.381 -20 Cu6Pt18 -1.031 -21 Cu16Pt8 -1.465 -22 Cu7Pt17 -1.240 -23 Cu3Pt21 -0.932 -24 Cu10Pt14 -1.590 -25 Cu8Pt16 -1.337 -26 Cu6Pt18 -1.464 -27 Cu7Pt17 -1.439 -28 Cu10Pt14 -1.443 -29 Cu4Pt20 -1.142 -30 Cu2Pt22 -0.449 -31 CuPt23 -0.224 -32 Cu11Pt13 -1.235 -33 Cu2Pt22 -0.565 -34 CuPt23 -0.336 -35 Cu13Pt11 -1.309 -36 Cu13Pt11 -1.813 -37 Cu9Pt15 -1.543 -38 Cu6Pt18 -1.206 -39 Cu23Pt -0.309 -40 Cu5Pt19 -0.864 -41 Cu15Pt9 -1.978 -42 Cu4Pt20 -0.832 -43 Cu2Pt22 -0.447 -44 Cu14Pt10 -1.318 -45 Cu11Pt13 -1.884 -46 Cu21Pt3 -0.784 -47 Cu4Pt20 -0.975 -48 Cu7Pt17 -1.551 -49 Cu7Pt17 -1.463 -50 Cu6Pt18 -0.963 -51 Cu4Pt20 -1.122 -52 Cu7Pt17 -1.438 -53 Cu12Pt12 -1.675 -54 Cu12Pt12 -1.588 -55 Cu21Pt3 -0.888 -56 Cu11Pt13 -0.815 -57 Cu9Pt15 -1.626 -58 Cu12Pt12 -1.873 -59 Cu13Pt11 -2.009 -60 Cu21Pt3 -0.850 -61 Cu10Pt14 -1.802 -62 Cu13Pt11 -1.828 -63 Cu8Pt16 -1.723 -64 Cu11Pt13 -1.881 -65 Cu11Pt13 -1.765 -66 Cu8Pt16 -1.569 -67 Cu7Pt17 -0.635 -68 Cu14Pt10 -1.971 -69 Cu8Pt16 -0.952 -70 Cu9Pt15 -1.862 -71 Cu15Pt9 -1.395 -72 Cu10Pt14 -2.039 -73 Cu3Pt21 -0.794 -74 Cu15Pt9 -1.169 -75 Cu11Pt13 -0.844 -76 Cu10Pt14 -1.598 -77 CuPt23 -0.336 -78 Cu9Pt15 -1.370 -79 Cu2Pt22 -0.501 -80 Cu4Pt20 -0.832 -81 Cu6Pt18 -1.036 -82 Cu6Pt18 -1.503 -83 Cu18Pt6 -1.503 -84 Cu11Pt13 -1.801 -85 Cu18Pt6 -1.384 -86 Cu15Pt9 -1.472 -87 Cu10Pt14 -1.873 -88 Cu13Pt11 -1.698 -89 Cu9Pt15 -1.905 -90 Cu9Pt15 -1.585 -91 Cu8Pt16 -1.639 -92 Cu12Pt12 -2.049 -93 Cu8Pt16 -1.202 -94 Cu5Pt19 -1.022 -95 Cu19Pt5 -1.373 -96 Cu9Pt15 -1.804 -97 Cu6Pt18 -1.503 -98 Cu22Pt2 -0.560 -99 Cu5Pt19 -1.312 -100 Cu18Pt6 -0.899 -101 CuPt23 -0.336 -102 Cu11Pt13 -2.052 -103 Cu13Pt11 -1.605 -104 Cu7Pt17 -1.558 -105 Cu10Pt14 -1.840 -106 Cu5Pt19 -1.286 -107 Cu22Pt2 -0.627 -108 Cu12Pt12 -1.772 -109 Cu13Pt11 -1.790 -110 Cu4Pt20 -1.122 -111 Cu7Pt17 -1.393 -112 Cu23Pt -0.309 -113 Cu13Pt11 -1.686 -114 Cu22Pt2 -0.521 -115 Cu9Pt15 -1.617 -116 Cu14Pt10 -1.971 -117 Cu6Pt18 -1.584 -118 Cu2Pt22 -0.623 -119 Cu7Pt17 -1.550 -120 Cu4Pt20 -0.978 -121 Cu11Pt13 -2.086 -122 Cu6Pt18 -1.394 -123 Cu12Pt12 -2.098 -124 CuPt23 -0.336 -125 Cu17Pt7 -1.733 -126 Cu2Pt22 -0.565 -127 Cu9Pt15 -1.812 -128 Cu17Pt7 -1.859 -129 Cu15Pt9 -1.287 -130 Cu4Pt20 -1.015 -131 Cu11Pt13 -1.601 -132 Cu11Pt13 -1.763 -133 Cu7Pt17 -1.569 -134 Cu18Pt6 -1.388 -135 Cu13Pt11 -1.596 -136 Cu20Pt4 -1.052 -137 Cu11Pt13 -1.685 -138 Cu14Pt10 -1.797 -139 Cu13Pt11 -1.897 -140 Cu10Pt14 -1.424 -141 Cu15Pt9 -1.346 -142 Cu20Pt4 -1.139 -143 Cu7Pt17 -1.423 -144 Cu7Pt17 -1.683 -145 Cu13Pt11 -1.744 -146 Cu11Pt13 -1.738 -147 Cu5Pt19 -0.778 -148 Cu15Pt9 -1.222 -149 Cu20Pt4 -1.220 -150 Cu5Pt19 -0.937 -151 Cu12Pt12 -2.007 -152 CuPt23 -0.224 -153 Cu8Pt16 -1.701 -154 Cu19Pt5 -1.455 -155 Cu10Pt14 -1.902 -156 Cu8Pt16 -1.615 -157 Cu4Pt20 -0.973 -158 Cu9Pt15 -1.607 -159 Cu13Pt11 -1.888 -160 Cu17Pt7 -1.814 -161 Cu13Pt11 -2.082 -162 Cu11Pt13 -1.343 -163 Cu10Pt14 -1.891 -164 Cu11Pt13 -1.786 -165 Cu7Pt17 -1.569 -166 Cu20Pt4 -1.197 -167 Cu13Pt11 -1.523 -168 Cu12Pt12 -0.922 -169 Cu17Pt7 -1.690 -170 Cu7Pt17 -1.522 -171 Cu14Pt10 -1.015 -172 Cu16Pt8 -1.626 -173 Cu18Pt6 -1.446 -174 Cu3Pt21 -0.684 -175 Cu19Pt5 -1.202 -176 Cu3Pt21 -0.794 -177 Cu13Pt11 -1.951 -178 Cu16Pt8 -1.809 -179 Cu17Pt7 -1.345 -180 Cu6Pt18 -1.345 -181 Cu15Pt9 -1.815 -182 Cu5Pt19 -1.197 -183 Cu20Pt4 -1.025 -184 Cu12Pt12 -1.815 -185 Cu18Pt6 -1.302 -186 Cu6Pt18 -1.426 -187 Cu7Pt17 -1.055 -188 Cu6Pt18 -1.359 -189 Cu7Pt17 -0.907 -190 Cu10Pt14 -1.792 -191 Cu13Pt11 -0.975 -192 Cu17Pt7 -1.280 -193 Cu19Pt5 -1.323 -194 Cu11Pt13 -1.441 -195 Cu14Pt10 -0.627 -196 Cu7Pt17 -1.532 -197 Cu9Pt15 -1.860 -198 Cu18Pt6 -1.321 -199 Cu4Pt20 -1.121 -200 Cu16Pt8 -1.316 -201 Cu4Pt20 -0.793 -202 Cu8Pt16 -1.583 -203 Cu17Pt7 -1.990 -204 Cu10Pt14 -1.782 -205 Cu3Pt21 -0.721 -206 Cu5Pt19 -1.210 -207 Cu8Pt16 -1.442 -208 CuPt23 -0.336 -209 Cu9Pt15 -1.840 -210 Cu2Pt22 -0.623 -211 Cu5Pt19 -1.305 -212 Cu13Pt11 -1.944 -213 Cu22Pt2 -0.629 -214 Cu12Pt12 -1.651 -215 Cu11Pt13 -2.052 -216 Cu8Pt16 -1.615 -217 Cu17Pt7 -1.671 -218 Cu13Pt11 -2.012 -219 Cu2Pt22 -0.501 -220 Cu3Pt21 -0.872 -221 Cu11Pt13 -0.606 -222 Cu4Pt20 -0.999 -223 Cu18Pt6 -1.633 -224 Cu16Pt8 -1.885 -225 Cu15Pt9 -1.818 -226 Cu5Pt19 -0.878 -227 Cu10Pt14 -1.931 -228 Cu5Pt19 -1.281 -229 Cu17Pt7 -1.706 -230 Cu12Pt12 -2.182 -231 Cu16Pt8 -1.981 -232 Cu15Pt9 -1.862 -233 Cu15Pt9 -1.513 -234 Cu10Pt14 -1.841 -235 Cu14Pt10 -1.801 -236 Cu9Pt15 -1.772 -237 Cu18Pt6 -1.512 -238 Cu15Pt9 -1.221 -239 Cu21Pt3 -0.856 -240 Cu11Pt13 -1.511 -241 Cu10Pt14 -1.701 -242 Cu3Pt21 -0.770 -243 Cu14Pt10 -2.143 -244 Cu17Pt7 -1.874 -245 Cu17Pt7 -1.776 -246 Cu6Pt18 -1.179 -247 Cu6Pt18 -1.092 -248 Cu5Pt19 -1.276 -249 Cu16Pt8 -1.644 -250 Cu16Pt8 -1.929 -251 Cu10Pt14 -1.821 -252 Cu21Pt3 -0.885 -253 Cu5Pt19 -1.092 -254 Cu16Pt8 -0.847 -255 Cu14Pt10 -2.196 -256 Cu11Pt13 -1.928 -257 Cu16Pt8 -2.011 -258 Cu18Pt6 -1.438 -259 Cu19Pt5 -1.516 -260 Cu16Pt8 -1.895 -261 Cu12Pt12 -2.182 -262 Cu23Pt -0.309 -263 Cu9Pt15 -1.957 -264 Cu19Pt5 -1.146 -265 Cu11Pt13 -2.084 -266 Cu23Pt -0.309 -267 Cu11Pt13 -1.745 -268 Cu14Pt10 -1.976 -269 Cu8Pt16 -1.454 -270 Cu15Pt9 -1.983 -271 Cu16Pt8 -1.577 -272 Cu4Pt20 -1.134 -273 Cu11Pt13 -1.498 -274 CuPt23 -0.336 -275 Cu23Pt -0.309 -276 Cu16Pt8 -1.294 -277 Cu3Pt21 -0.707 -278 Cu3Pt21 -0.876 -279 Cu8Pt16 -1.829 -280 Cu13Pt11 -2.061 -281 Cu8Pt16 -1.842 -282 Cu18Pt6 -1.561 -283 Cu9Pt15 -2.038 -284 Cu19Pt5 -1.287 -285 Cu7Pt17 -0.919 -286 Cu9Pt15 -1.492 -287 Cu3Pt21 -0.948 -288 Cu7Pt17 -1.674 -289 Cu18Pt6 -1.560 -290 Cu9Pt15 -1.481 -291 Cu8Pt16 -1.597 -292 Cu3Pt21 -0.809 -293 Cu9Pt15 -2.056 -294 Cu21Pt3 -0.851 -295 Cu13Pt11 -2.091 -296 Cu18Pt6 -1.505 -297 Cu6Pt18 -1.503 -298 Cu21Pt3 -0.919 -299 Cu14Pt10 -2.246 -300 Cu19Pt5 -1.363 -301 Pt24 0.000 -302 Cu8Pt16 -1.829 -303 Cu12Pt12 -2.186 -304 Cu5Pt19 -1.274 -305 Cu14Pt10 -1.739 -306 Cu13Pt11 -2.015 -307 Cu18Pt6 -1.809 -308 Cu23Pt -0.359 -309 Cu7Pt17 -1.749 -310 Cu19Pt5 -1.274 -311 Cu12Pt12 -1.678 -312 Cu3Pt21 -0.796 -313 Cu5Pt19 -1.246 -314 Cu10Pt14 -1.813 -315 Cu19Pt5 -1.524 -316 Cu19Pt5 -1.252 -317 Cu14Pt10 -2.066 -318 Cu13Pt11 -1.777 -319 Cu10Pt14 -1.822 -320 Cu2Pt22 -0.623 -321 Cu8Pt16 -1.793 -322 CuPt23 -0.224 -323 Cu9Pt15 -1.996 -324 Cu15Pt9 -1.975 -325 Cu13Pt11 -1.467 -326 Cu17Pt7 -1.873 -327 Cu12Pt12 -2.052 -328 Cu21Pt3 -0.784 -329 Cu2Pt22 -0.501 -330 Cu16Pt8 -0.206 -331 Cu13Pt11 -1.025 -332 Cu4Pt20 -0.913 -333 Cu4Pt20 -0.747 -334 Cu15Pt9 -1.907 -335 Cu11Pt13 -2.158 -336 Cu21Pt3 -0.978 -337 Cu15Pt9 -2.063 -338 Cu10Pt14 -1.875 -339 Cu7Pt17 -1.368 -340 Cu15Pt9 -0.635 -341 Cu18Pt6 -1.173 -342 Cu11Pt13 -1.832 -343 CuPt23 -0.224 -344 Cu10Pt14 -1.864 -345 Cu10Pt14 -2.174 -346 Cu21Pt3 -1.060 -347 Cu8Pt16 -1.537 -348 Cu2Pt22 -0.545 -349 Cu21Pt3 -0.847 -350 Cu19Pt5 -1.423 -351 Cu23Pt -0.309 -352 Cu9Pt15 -1.664 -353 Cu16Pt8 -2.043 -354 Cu18Pt6 -1.793 -355 CuPt23 -0.336 -356 Cu8Pt16 -1.957 -357 Cu22Pt2 -0.560 -358 Cu16Pt8 -1.707 -359 Cu18Pt6 -1.309 -360 Cu3Pt21 -0.872 -361 Cu13Pt11 -1.780 -362 Cu17Pt7 -1.680 -363 CuPt23 -0.224 -364 Cu21Pt3 -0.919 -365 Cu20Pt4 -1.290 -366 Cu14Pt10 -2.023 -367 Cu18Pt6 -1.656 -368 Cu17Pt7 -1.273 -369 CuPt23 -0.336 -370 Cu22Pt2 -0.560 -371 Cu4Pt20 -1.138 -372 Cu15Pt9 -1.930 -373 Cu11Pt13 -2.141 -374 Cu14Pt10 -1.898 -375 Cu6Pt18 -1.364 -376 Cu6Pt18 -1.426 -377 Cu16Pt8 -2.064 -378 Cu16Pt8 -1.637 -379 Cu4Pt20 -0.988 -380 Cu5Pt19 -1.403 -381 Cu2Pt22 -0.709 -382 Cu18Pt6 -1.633 -383 Cu6Pt18 -1.534 -384 Cu7Pt17 -1.667 -385 Cu14Pt10 -1.736 -386 Cu9Pt15 -1.926 -387 Cu4Pt20 -1.138 -388 Cu22Pt2 -0.565 -389 Cu15Pt9 -1.706 -390 Cu7Pt17 -1.596 -391 Cu15Pt9 -1.990 -392 Cu16Pt8 -1.836 -393 Cu21Pt3 -0.978 -394 Cu14Pt10 -1.556 -395 Cu19Pt5 -1.452 -396 Cu16Pt8 -1.983 -397 Cu4Pt20 -1.217 -398 Cu17Pt7 -1.677 -399 Cu13Pt11 -1.874 -400 Cu8Pt16 -1.842 -401 Cu24 0.000 -402 Cu13Pt11 -2.112 -403 Cu20Pt4 -1.165 -404 Cu14Pt10 -2.086 -405 Cu19Pt5 -0.785 -406 Cu7Pt17 -1.713 -407 Cu6Pt18 -1.591 -408 Cu11Pt13 -1.638 -409 Cu12Pt12 -1.850 -410 Cu16Pt8 -1.951 -411 Cu20Pt4 -1.238 -412 Cu15Pt9 -1.663 -413 Cu18Pt6 -1.101 -414 Cu10Pt14 -1.755 -415 Cu17Pt7 -1.603 -416 Cu4Pt20 -0.877 -417 Cu17Pt7 -1.901 -418 Cu6Pt18 -0.845 -419 Cu8Pt16 -1.796 -420 Cu14Pt10 -1.983 -421 Cu11Pt13 -2.078 -422 Cu6Pt18 -1.498 -423 Cu6Pt18 -1.581 -424 Cu10Pt14 -0.884 -425 Cu7Pt17 -0.994 -426 Cu13Pt11 -2.257 -427 Cu4Pt20 -0.798 -428 Cu2Pt22 -0.577 -429 Cu16Pt8 -2.007 -430 Cu5Pt19 -1.398 -431 Cu12Pt12 -1.880 -432 Cu17Pt7 -1.843 -433 Cu6Pt18 -1.495 -434 Cu6Pt18 -1.581 -435 Cu18Pt6 -1.648 -436 Cu18Pt6 -1.650 -437 Cu9Pt15 -0.901 -438 Cu8Pt16 -1.855 -439 Cu19Pt5 -0.768 -440 Cu6Pt18 -1.511 -441 Cu15Pt9 -1.696 -442 Cu10Pt14 -1.950 -443 Cu18Pt6 -1.705 -444 Cu10Pt14 -2.126 -445 Cu12Pt12 -1.844 -446 Cu17Pt7 -1.875 -447 Cu13Pt11 -1.923 -448 Cu5Pt19 -1.196 -449 Cu7Pt17 -1.741 -450 Cu22Pt2 -0.560 -451 Cu16Pt8 -1.774 -452 Cu12Pt12 -2.107 -453 Cu13Pt11 -2.154 -454 Cu9Pt15 -1.111 -455 Cu5Pt19 -1.347 -456 Cu13Pt11 -2.212 -457 Cu17Pt7 -1.776 -458 Cu15Pt9 -2.067 -459 Cu17Pt7 -1.724 -460 Cu9Pt15 -1.311 -461 Cu20Pt4 -1.114 -462 Cu8Pt16 -1.711 -463 Cu6Pt18 -1.468 -464 Cu11Pt13 -2.011 -465 Cu13Pt11 -2.257 -466 Cu17Pt7 -1.827 -467 Cu11Pt13 -2.097 -468 Cu12Pt12 -2.023 -469 Cu23Pt -0.359 -470 Cu12Pt12 -2.042 -471 CuPt23 -0.224 -472 Cu8Pt16 -1.850 -473 Cu4Pt20 -1.009 -474 Cu20Pt4 -0.935 -475 Cu21Pt3 -1.056 -476 Cu23Pt -0.359 -477 Cu21Pt3 -0.978 -478 Cu18Pt6 -1.013 -479 Cu12Pt12 -1.280 -480 Cu9Pt15 -1.884 -481 Cu21Pt3 -0.981 -482 Cu10Pt14 -2.126 -483 Cu23Pt -0.359 -484 Cu2Pt22 -0.709 -485 Cu8Pt16 -1.676 -486 Cu7Pt17 -1.790 -487 Cu4Pt20 -0.757 -488 CuPt23 -0.336 -489 Cu6Pt18 -1.401 -490 Cu15Pt9 -1.784 -491 Cu11Pt13 -0.747 -492 Cu6Pt18 -1.481 -493 Cu6Pt18 -1.481 -494 Cu18Pt6 -1.353 -495 Cu8Pt16 -1.788 -496 Cu7Pt17 -1.616 -497 Cu16Pt8 -1.254 -498 Cu2Pt22 -0.623 -499 Cu11Pt13 -1.950 -500 Cu18Pt6 -1.734 -501 Cu7Pt17 -1.473 -502 Cu18Pt6 -1.424 -503 Cu13Pt11 -1.947 -504 Cu15Pt9 -1.680 -505 Cu5Pt19 -1.357 -506 Cu22Pt2 -0.689 -507 Cu8Pt16 -1.601 -508 Cu13Pt11 -2.133 -509 Cu8Pt16 -1.681 -510 Cu3Pt21 -0.946 -511 Cu12Pt12 -2.249 -512 Cu8Pt16 -1.622 -513 Cu3Pt21 -0.791 -514 Cu16Pt8 -1.878 -515 Cu6Pt18 -1.532 -516 Cu21Pt3 -0.993 -517 Cu18Pt6 -1.725 -518 Cu22Pt2 -0.521 -519 Cu6Pt18 -1.495 -520 Cu13Pt11 -2.133 -521 Cu3Pt21 -0.823 -522 CuPt23 -0.224 -523 Cu5Pt19 -1.238 -Simplices: 13 +2 Cu8Pt16 -1.268 +3 Cu2Pt22 -0.709 +4 Cu14Pt10 -1.652 +5 Cu12Pt12 -1.785 +6 Cu19Pt5 -1.388 +7 Cu7Pt17 -1.548 +8 Cu5Pt19 -1.010 +9 Cu3Pt21 -0.808 +10 Cu8Pt16 -1.144 +11 Cu23Pt -0.359 +12 Cu12Pt12 -1.981 +13 Cu15Pt9 -1.671 +14 Cu13Pt11 -1.966 +15 Cu4Pt20 -0.895 +16 Cu7Pt17 -1.244 +17 Cu14Pt10 -1.827 +18 Cu19Pt5 -1.360 +19 Cu19Pt5 -1.150 +20 Cu10Pt14 -1.564 +21 Cu19Pt5 -1.224 +22 Cu21Pt3 -0.668 +23 Cu14Pt10 -1.450 +24 Cu19Pt5 -0.967 +25 Cu5Pt19 -1.078 +26 Cu18Pt6 -1.642 +27 Cu9Pt15 -1.537 +28 Cu4Pt20 -0.915 +29 Cu21Pt3 -0.851 +30 Cu6Pt18 -1.193 +31 Cu17Pt7 -1.713 +32 Cu5Pt19 -1.216 +33 Cu19Pt5 -1.308 +34 Cu19Pt5 -1.471 +35 Cu21Pt3 -0.978 +36 Cu21Pt3 -0.732 +37 Cu19Pt5 -1.510 +38 Cu17Pt7 -1.236 +39 Cu19Pt5 -1.322 +40 Cu4Pt20 -0.968 +41 CuPt23 -0.224 +42 Cu3Pt21 -0.721 +43 Cu6Pt18 -1.508 +44 Cu14Pt10 -1.774 +45 Cu8Pt16 -1.480 +46 Cu22Pt2 -0.689 +47 Cu18Pt6 -1.130 +48 Cu6Pt18 -1.386 +49 Cu22Pt2 -0.521 +50 Cu3Pt21 -0.660 +51 Cu11Pt13 -1.602 +52 Cu5Pt19 -0.939 +53 Cu21Pt3 -0.993 +54 Cu18Pt6 -1.391 +55 Cu9Pt15 -1.451 +56 Cu8Pt16 -1.476 +57 Cu19Pt5 -1.322 +58 Cu17Pt7 -1.713 +59 Cu10Pt14 -1.780 +60 Cu4Pt20 -0.786 +61 Cu8Pt16 -1.598 +62 Cu11Pt13 -1.815 +63 Cu10Pt14 -1.557 +64 Cu10Pt14 -1.723 +65 Cu6Pt18 -1.177 +66 Cu8Pt16 -1.568 +67 Cu5Pt19 -1.011 +68 Cu11Pt13 -1.317 +69 Cu10Pt14 -1.453 +70 Cu21Pt3 -0.852 +71 Cu13Pt11 -1.888 +72 Cu14Pt10 -1.752 +73 Cu8Pt16 -1.401 +74 Cu18Pt6 -1.467 +75 Cu19Pt5 -1.341 +76 Cu21Pt3 -0.948 +77 Cu2Pt22 -0.340 +78 Cu8Pt16 -1.389 +79 Cu11Pt13 -1.633 +80 Cu17Pt7 -1.703 +81 Cu6Pt18 -1.085 +82 Cu3Pt21 -0.746 +83 Cu19Pt5 -0.527 +84 Cu10Pt14 -1.452 +85 Cu21Pt3 -0.898 +86 Cu7Pt17 -1.306 +87 Cu22Pt2 -0.657 +88 Cu12Pt12 -1.299 +89 Cu10Pt14 -1.823 +90 Cu2Pt22 -0.381 +91 Cu9Pt15 -1.538 +92 Cu14Pt10 -1.731 +93 Cu14Pt10 -1.931 +94 Cu2Pt22 -0.577 +95 Cu11Pt13 -1.756 +96 Cu8Pt16 -1.357 +97 Cu17Pt7 -1.597 +98 Cu15Pt9 -1.132 +99 Cu10Pt14 -1.952 +100 Cu12Pt12 -1.648 +101 Cu19Pt5 -1.393 +102 Cu15Pt9 -1.696 +103 Cu7Pt17 -1.336 +104 Cu10Pt14 -1.627 +105 Cu6Pt18 -1.311 +106 Cu12Pt12 -1.654 +107 Cu14Pt10 -1.893 +108 Cu9Pt15 -1.620 +109 Cu10Pt14 -1.580 +110 Cu8Pt16 -1.755 +111 Cu10Pt14 -1.305 +112 Cu9Pt15 -1.432 +113 Cu15Pt9 -1.385 +114 Cu7Pt17 -1.671 +115 Cu14Pt10 -2.078 +116 Cu15Pt9 -1.454 +117 Cu12Pt12 -1.855 +118 Cu11Pt13 -1.398 +119 Cu22Pt2 -0.657 +120 Cu10Pt14 -0.725 +121 Cu16Pt8 -1.655 +122 Cu7Pt17 -1.231 +123 Cu5Pt19 -1.239 +124 Cu8Pt16 -1.579 +125 Cu14Pt10 -0.897 +126 Cu9Pt15 -1.772 +127 Cu12Pt12 -0.941 +128 Cu4Pt20 -0.911 +129 Cu17Pt7 -1.586 +130 Cu13Pt11 -1.930 +131 Cu4Pt20 -0.902 +132 Cu6Pt18 -0.948 +133 Cu4Pt20 -1.140 +134 Cu11Pt13 -1.394 +135 Cu10Pt14 -1.794 +136 Cu13Pt11 -1.062 +137 Cu9Pt15 -1.719 +138 Cu13Pt11 -1.788 +139 Cu9Pt15 -1.360 +140 Cu9Pt15 -1.575 +141 Cu14Pt10 -2.061 +142 Cu8Pt16 -1.191 +143 Cu10Pt14 -1.753 +144 Cu20Pt4 -1.073 +145 Cu5Pt19 -1.145 +146 Cu19Pt5 -1.150 +147 Cu16Pt8 -0.597 +148 Cu15Pt9 -1.926 +149 Cu20Pt4 -1.029 +150 Cu18Pt6 -1.704 +151 Cu17Pt7 -1.323 +152 CuPt23 -0.336 +153 Cu14Pt10 -2.078 +154 Cu13Pt11 -1.912 +155 Cu16Pt8 -1.595 +156 Cu14Pt10 -2.087 +157 Cu19Pt5 -1.576 +158 Cu13Pt11 -1.710 +159 Cu22Pt2 -0.657 +160 Cu17Pt7 -1.779 +161 Cu4Pt20 -1.124 +162 Cu23Pt -0.359 +163 Cu10Pt14 -1.775 +164 Cu9Pt15 -1.768 +165 Cu15Pt9 -1.776 +166 Cu14Pt10 -1.929 +167 Cu4Pt20 -0.968 +168 Cu9Pt15 -1.722 +169 Cu2Pt22 -0.565 +170 Cu7Pt17 -1.247 +171 Cu18Pt6 -1.565 +172 Cu8Pt16 -1.538 +173 Cu6Pt18 -1.366 +174 Cu22Pt2 -0.657 +175 Cu17Pt7 -1.735 +176 Cu6Pt18 -1.508 +177 Cu9Pt15 -1.785 +178 Cu23Pt -0.309 +179 Cu16Pt8 -1.704 +180 Cu6Pt18 -1.506 +181 Cu4Pt20 -0.952 +182 Cu12Pt12 -1.676 +183 Cu4Pt20 -1.015 +184 Cu18Pt6 -1.512 +185 Cu11Pt13 -1.766 +186 Cu20Pt4 -1.073 +187 Cu15Pt9 -0.888 +188 Cu20Pt4 -1.140 +189 Cu12Pt12 -1.876 +190 Cu15Pt9 -1.903 +191 Cu9Pt15 -1.158 +192 Cu5Pt19 -1.198 +193 Cu12Pt12 -1.833 +194 Cu2Pt22 -0.541 +195 Cu8Pt16 -1.154 +196 Cu20Pt4 -0.740 +197 Cu20Pt4 -1.037 +198 Cu15Pt9 -1.735 +199 Cu17Pt7 -1.804 +200 Cu16Pt8 -1.523 +201 Cu13Pt11 -1.949 +202 Cu15Pt9 -1.793 +203 Cu10Pt14 -1.563 +204 CuPt23 -0.224 +205 Cu14Pt10 -1.860 +206 Cu19Pt5 -1.463 +207 Cu17Pt7 -1.430 +208 Cu3Pt21 -0.660 +209 Cu16Pt8 -0.871 +210 Cu23Pt -0.309 +211 Cu3Pt21 -0.641 +212 Cu17Pt7 -1.918 +213 Cu22Pt2 -0.626 +214 Pt24 0.000 +215 Cu14Pt10 -1.894 +216 Cu21Pt3 -0.970 +217 Cu16Pt8 -1.619 +218 Cu13Pt11 -1.694 +219 Cu19Pt5 -1.463 +220 CuPt23 -0.224 +221 Cu2Pt22 -0.565 +222 Cu4Pt20 -0.837 +223 Cu11Pt13 -1.125 +224 Cu22Pt2 -0.753 +225 Cu13Pt11 -1.093 +226 Cu19Pt5 -1.514 +227 Cu15Pt9 -2.031 +228 Cu5Pt19 -1.132 +229 Cu9Pt15 -1.632 +230 CuPt23 -0.336 +231 Cu21Pt3 -0.856 +232 Cu22Pt2 -0.521 +233 Cu11Pt13 -2.141 +234 Cu5Pt19 -1.049 +235 Cu19Pt5 -1.201 +236 Cu3Pt21 -0.776 +237 Cu6Pt18 -1.452 +238 Cu5Pt19 -1.246 +239 Cu13Pt11 -1.603 +240 Cu11Pt13 -1.446 +241 Cu15Pt9 -1.663 +242 Cu17Pt7 -1.678 +243 Cu10Pt14 -1.277 +244 Cu16Pt8 -1.934 +245 Cu8Pt16 -1.251 +246 Cu14Pt10 -2.081 +247 Cu16Pt8 -1.206 +248 Cu12Pt12 -1.349 +249 Cu10Pt14 -1.315 +250 Cu4Pt20 -0.943 +251 Cu3Pt21 -0.948 +252 Cu8Pt16 -1.829 +253 Cu12Pt12 -1.989 +254 Cu19Pt5 -1.262 +255 Cu7Pt17 -1.573 +256 Cu23Pt -0.309 +257 Cu12Pt12 -0.510 +258 Cu20Pt4 -1.119 +259 Cu10Pt14 -0.412 +260 Cu7Pt17 -1.621 +261 Cu2Pt22 -0.570 +262 Cu16Pt8 -1.688 +263 Cu15Pt9 -1.171 +264 Cu14Pt10 -1.743 +265 Cu10Pt14 -1.538 +266 Cu16Pt8 -1.665 +267 Cu17Pt7 -1.888 +268 Cu11Pt13 -1.911 +269 Cu11Pt13 -1.734 +270 Cu6Pt18 -1.547 +271 Cu19Pt5 -1.294 +272 Cu19Pt5 -1.423 +273 Cu22Pt2 -0.599 +274 Cu19Pt5 -1.311 +275 Cu13Pt11 -1.494 +276 Cu10Pt14 -1.008 +277 Cu14Pt10 -1.460 +278 Cu7Pt17 -1.547 +279 CuPt23 -0.224 +280 Cu6Pt18 -1.451 +281 Cu20Pt4 -0.858 +282 Cu9Pt15 -1.759 +283 Cu13Pt11 -1.961 +284 Cu11Pt13 -1.271 +285 Cu4Pt20 -1.043 +286 Cu17Pt7 -1.638 +287 CuPt23 -0.336 +288 Cu4Pt20 -0.934 +289 Cu15Pt9 -1.808 +290 Cu13Pt11 -2.174 +291 Cu8Pt16 -1.498 +292 Cu11Pt13 -2.011 +293 Cu17Pt7 -1.684 +294 Cu16Pt8 -1.690 +295 Cu6Pt18 -1.421 +296 Cu21Pt3 -0.980 +297 Cu19Pt5 -1.428 +298 Cu10Pt14 -1.401 +299 Cu7Pt17 -1.634 +300 Cu10Pt14 -1.683 +301 Cu20Pt4 -1.119 +302 Cu22Pt2 -0.683 +303 Cu8Pt16 -1.676 +304 Cu15Pt9 -1.786 +305 Cu6Pt18 -1.579 +306 Cu13Pt11 -1.370 +307 Cu15Pt9 -2.031 +308 Cu4Pt20 -1.074 +309 Cu22Pt2 -0.676 +310 CuPt23 -0.336 +311 Cu6Pt18 -1.420 +312 Cu3Pt21 -0.742 +313 Cu14Pt10 -1.638 +314 Cu10Pt14 -1.692 +315 Cu12Pt12 -1.852 +316 Cu4Pt20 -1.002 +317 Cu12Pt12 -2.051 +318 Cu19Pt5 -1.362 +319 Cu9Pt15 -1.449 +320 Cu13Pt11 -1.746 +321 Cu18Pt6 -1.573 +322 Cu13Pt11 -1.703 +323 Cu17Pt7 -1.358 +324 Cu14Pt10 -2.002 +325 Cu12Pt12 -1.419 +326 Cu15Pt9 -0.925 +327 Cu16Pt8 -1.664 +328 Cu16Pt8 -1.991 +329 Cu12Pt12 -1.818 +330 Cu8Pt16 -1.932 +331 Cu4Pt20 -1.009 +332 Cu10Pt14 -1.163 +333 Cu20Pt4 -1.150 +334 Cu3Pt21 -0.896 +335 Cu2Pt22 -0.501 +336 Cu7Pt17 -1.571 +337 Cu6Pt18 -1.561 +338 Cu14Pt10 -1.716 +339 Cu7Pt17 -1.254 +340 Cu5Pt19 -0.881 +341 Cu9Pt15 -1.760 +342 Cu9Pt15 -1.785 +343 Cu6Pt18 -1.252 +344 Cu10Pt14 -1.843 +345 Cu9Pt15 -1.899 +346 Cu20Pt4 -1.275 +347 Cu8Pt16 -1.255 +348 Cu13Pt11 -2.092 +349 Cu17Pt7 -1.581 +350 Cu20Pt4 -1.151 +351 Cu6Pt18 -1.358 +352 Cu9Pt15 -1.936 +353 Cu16Pt8 -1.853 +354 Cu17Pt7 -1.752 +355 Cu4Pt20 -0.791 +356 Cu14Pt10 -1.742 +357 Cu10Pt14 -1.685 +358 Cu8Pt16 -1.708 +359 Cu14Pt10 -1.615 +360 Cu9Pt15 -1.848 +361 Cu4Pt20 -1.138 +362 Cu11Pt13 -1.425 +363 Cu18Pt6 -1.418 +364 Cu5Pt19 -1.294 +365 Cu3Pt21 -0.774 +366 Cu4Pt20 -1.052 +367 Pt24 0.000 +368 Cu15Pt9 -1.140 +369 Cu14Pt10 -2.096 +370 Cu10Pt14 -1.936 +371 Cu4Pt20 -1.132 +372 Cu8Pt16 -1.685 +373 Cu7Pt17 -1.392 +374 Cu2Pt22 -0.501 +375 Cu7Pt17 -1.675 +376 Cu20Pt4 -1.133 +377 Cu15Pt9 -1.621 +378 Cu2Pt22 -0.623 +379 Cu16Pt8 -1.781 +380 Cu24 0.000 +381 Cu21Pt3 -0.668 +382 Cu9Pt15 -0.280 +383 Cu20Pt4 -1.136 +384 Cu18Pt6 -1.365 +385 Cu15Pt9 -2.039 +386 CuPt23 -0.336 +387 Cu2Pt22 -0.501 +388 Cu15Pt9 -2.015 +389 Cu10Pt14 -1.828 +390 Cu20Pt4 -1.214 +391 Cu9Pt15 -2.081 +392 Cu17Pt7 -1.631 +393 Cu13Pt11 -1.563 +394 Cu4Pt20 -0.999 +395 Cu23Pt -0.359 +396 Cu7Pt17 -1.145 +397 Cu11Pt13 -1.834 +398 Cu18Pt6 -1.740 +399 Cu3Pt21 -0.667 +400 Cu16Pt8 -1.535 +401 Cu10Pt14 -1.650 +402 Cu6Pt18 -1.082 +403 Cu18Pt6 -1.313 +404 Cu7Pt17 -1.574 +405 Cu14Pt10 -1.709 +406 Cu6Pt18 -0.899 +407 Cu13Pt11 -2.027 +408 Cu13Pt11 -2.088 +409 Cu9Pt15 -1.966 +410 Cu10Pt14 -1.752 +411 Cu11Pt13 -1.956 +412 Cu13Pt11 -2.141 +413 Cu14Pt10 -1.745 +414 Cu3Pt21 -0.643 +415 Cu12Pt12 -1.743 +416 Cu4Pt20 -1.047 +417 Cu2Pt22 -0.501 +418 Cu11Pt13 -2.087 +419 Cu8Pt16 -1.848 +420 Cu6Pt18 -1.204 +421 Cu10Pt14 -1.779 +422 Cu19Pt5 -0.952 +423 Cu7Pt17 -1.671 +424 Cu16Pt8 -1.970 +425 Cu11Pt13 -2.004 +426 Cu17Pt7 -1.624 +427 CuPt23 -0.224 +428 Cu10Pt14 -1.873 +429 Cu22Pt2 -0.629 +430 Cu16Pt8 -1.927 +431 Cu21Pt3 -0.823 +432 Cu6Pt18 -0.967 +433 Cu13Pt11 -2.026 +434 Cu11Pt13 -2.096 +435 Cu9Pt15 -2.081 +436 Cu2Pt22 -0.623 +437 Cu5Pt19 -1.162 +438 Cu5Pt19 -1.339 +439 Cu13Pt11 -2.148 +440 Cu17Pt7 -1.402 +441 Cu13Pt11 -2.049 +442 CuPt23 -0.224 +443 Cu15Pt9 -1.994 +444 Cu2Pt22 -0.577 +445 Cu12Pt12 -1.991 +446 Cu8Pt16 -1.257 +447 Cu13Pt11 -2.010 +448 Cu15Pt9 -1.696 +449 Cu23Pt -0.359 +450 Cu11Pt13 -1.838 +451 Cu9Pt15 -1.913 +452 Cu13Pt11 -2.217 +453 Cu20Pt4 -1.128 +454 Cu19Pt5 -0.909 +455 Cu7Pt17 -1.462 +456 Cu15Pt9 -2.055 +457 Cu12Pt12 -2.155 +458 Cu13Pt11 -1.682 +459 Cu17Pt7 -1.430 +460 Cu6Pt18 -1.244 +461 Cu22Pt2 -0.560 +462 CuPt23 -0.336 +463 Cu11Pt13 -2.001 +464 Cu5Pt19 -1.309 +465 Cu14Pt10 -0.629 +466 Cu18Pt6 -1.664 +467 Cu7Pt17 -1.396 +468 CuPt23 -0.224 +469 Cu20Pt4 -1.030 +470 Cu21Pt3 -0.971 +471 Cu9Pt15 -1.405 +472 Cu11Pt13 -1.931 +473 Cu10Pt14 -1.939 +474 Cu13Pt11 -1.381 +475 Cu17Pt7 -1.337 +476 Cu9Pt15 -1.433 +477 Cu21Pt3 -0.910 +478 Cu22Pt2 -0.756 +479 Cu15Pt9 -1.565 +480 Cu13Pt11 -2.204 +481 Cu14Pt10 -1.947 +482 Cu16Pt8 -1.720 +483 Cu7Pt17 -1.507 +484 Cu10Pt14 -1.939 +485 Cu19Pt5 -0.768 +486 Cu18Pt6 -1.227 +487 Cu18Pt6 -1.619 +488 Pt24 0.000 +489 Cu21Pt3 -0.732 +490 Cu4Pt20 -1.033 +491 Cu11Pt13 -1.801 +492 Cu13Pt11 -1.959 +493 Cu6Pt18 -1.213 +494 Cu4Pt20 -0.856 +495 Cu14Pt10 -0.909 +496 Cu4Pt20 -1.189 +497 Cu14Pt10 -1.677 +498 Cu17Pt7 -1.292 +499 Cu8Pt16 -1.508 +500 Cu2Pt22 -0.447 +501 Cu18Pt6 -1.709 +502 Cu7Pt17 -1.364 +503 Cu16Pt8 -0.997 +504 Cu23Pt -0.359 +505 Cu9Pt15 -1.951 +506 Cu16Pt8 -1.816 +507 CuPt23 -0.224 +508 Cu10Pt14 -1.806 +509 Cu3Pt21 -0.896 +510 Cu18Pt6 -1.329 +511 Cu21Pt3 -0.933 +512 Cu10Pt14 -1.851 +513 Cu5Pt19 -1.312 +514 Cu16Pt8 -0.716 +515 Cu7Pt17 -1.671 +516 Cu9Pt15 -1.886 +517 Cu14Pt10 -1.944 +518 Pt24 0.000 +519 Cu6Pt18 -0.790 +520 Cu20Pt4 -1.119 +521 Cu7Pt17 -1.438 +Simplices: 10 ./doc/tutorials/ga hull.png running: ./doc/tutorials/minimahopping/minimahopping.py ./doc/tutorials/minimahopping summary.png running: ./doc/tutorials/neb/diffusion.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:53:33 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 19:53:33 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 15:41:11 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 15:41:11 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 19:53:33 3.320051* 0.1208 -BFGSLineSearch: 1[ 1] 19:53:33 3.316117* 0.0474 +BFGSLineSearch: 0[ 0] 15:41:11 3.320051* 0.1208 +BFGSLineSearch: 1[ 1] 15:41:11 3.316117* 0.0474 Step Time Energy fmax -BFGS: 0 19:53:33 4.219952 3.5208 -BFGS: 1 19:53:33 3.937039 2.1765 -BFGS: 2 19:53:33 3.719814 0.4351 -BFGS: 3 19:53:33 3.709652 0.2301 -BFGS: 4 19:53:33 3.708879 0.2441 -BFGS: 5 19:53:33 3.706088 0.2577 -BFGS: 6 19:53:33 3.698532 0.2134 -BFGS: 7 19:53:33 3.692121 0.2462 -BFGS: 8 19:53:33 3.692274 0.1873 -BFGS: 9 19:53:34 3.693484 0.1727 -BFGS: 10 19:53:34 3.692659 0.1514 -BFGS: 11 19:53:34 3.690809 0.0736 -BFGS: 12 19:53:34 3.690202 0.0708 -BFGS: 13 19:53:34 3.690382 0.0782 -BFGS: 14 19:53:34 3.690426 0.1034 -BFGS: 15 19:53:34 3.689890 0.0998 -BFGS: 16 19:53:34 3.689029 0.0543 -BFGS: 17 19:53:34 3.688737 0.0289 +BFGS: 0 15:41:11 4.219952 3.5208 +BFGS: 1 15:41:11 3.937039 2.1765 +BFGS: 2 15:41:11 3.719814 0.4351 +BFGS: 3 15:41:11 3.709652 0.2301 +BFGS: 4 15:41:11 3.708879 0.2441 +BFGS: 5 15:41:11 3.706088 0.2577 +BFGS: 6 15:41:11 3.698532 0.2134 +BFGS: 7 15:41:11 3.692121 0.2462 +BFGS: 8 15:41:11 3.692274 0.1873 +BFGS: 9 15:41:12 3.693484 0.1727 +BFGS: 10 15:41:12 3.692659 0.1514 +BFGS: 11 15:41:12 3.690809 0.0736 +BFGS: 12 15:41:12 3.690202 0.0708 +BFGS: 13 15:41:12 3.690382 0.0782 +BFGS: 14 15:41:12 3.690426 0.1034 +BFGS: 15 15:41:12 3.689890 0.0998 +BFGS: 16 15:41:12 3.689029 0.0543 +BFGS: 17 15:41:12 3.688737 0.0289 Step Time Energy fmax -BFGS: 0 19:53:34 3.688737 0.0289 -BFGS: 1 19:53:34 3.688734 0.0265 -BFGS: 2 19:53:34 3.688730 0.0240 -BFGS: 3 19:53:34 3.688729 0.0239 -BFGS: 4 19:53:34 3.688718 0.0122 -BFGS: 5 19:53:34 3.688718 0.0086 -BFGS: 6 19:53:34 3.688718 0.0095 -BFGS: 7 19:53:34 3.688718 0.0097 -BFGS: 8 19:53:34 3.688716 0.0097 -BFGS: 9 19:53:34 3.688714 0.0087 -BFGS: 10 19:53:34 3.688714 0.0062 -BFGS: 11 19:53:34 3.688714 0.0053 -BFGS: 12 19:53:34 3.688714 0.0053 -BFGS: 13 19:53:35 3.688714 0.0066 -BFGS: 14 19:53:35 3.688715 0.0088 -BFGS: 15 19:53:35 3.688723 0.0109 -BFGS: 16 19:53:35 3.688733 0.0157 -BFGS: 17 19:53:35 3.688732 0.0153 -BFGS: 18 19:53:35 3.688722 0.0100 -BFGS: 19 19:53:35 3.688716 0.0050 -BFGS: 20 19:53:35 3.688716 0.0034 +BFGS: 0 15:41:12 3.688737 0.0289 +BFGS: 1 15:41:12 3.688734 0.0265 +BFGS: 2 15:41:12 3.688730 0.0240 +BFGS: 3 15:41:12 3.688729 0.0239 +BFGS: 4 15:41:12 3.688718 0.0122 +BFGS: 5 15:41:12 3.688718 0.0086 +BFGS: 6 15:41:12 3.688718 0.0095 +BFGS: 7 15:41:12 3.688718 0.0097 +BFGS: 8 15:41:12 3.688716 0.0097 +BFGS: 9 15:41:12 3.688714 0.0087 +BFGS: 10 15:41:12 3.688714 0.0062 +BFGS: 11 15:41:12 3.688714 0.0053 +BFGS: 12 15:41:12 3.688714 0.0053 +BFGS: 13 15:41:13 3.688714 0.0066 +BFGS: 14 15:41:13 3.688715 0.0088 +BFGS: 15 15:41:13 3.688723 0.0109 +BFGS: 16 15:41:13 3.688733 0.0157 +BFGS: 17 15:41:13 3.688732 0.0153 +BFGS: 18 15:41:13 3.688722 0.0100 +BFGS: 19 15:41:13 3.688716 0.0050 +BFGS: 20 15:41:13 3.688716 0.0034 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -8536,11 +8569,11 @@ ./doc/tutorials/selfdiffusion Al110slab.png making output directory... done loading intersphinx inventory from https://wiki.fysik.dtu.dk/gpaw/objects.inv... -loading intersphinx inventory from https://docs.python.org/3.7/objects.inv... WARNING: failed to reach any of the inventories with the following issues: -intersphinx inventory 'https://wiki.fysik.dtu.dk/gpaw/objects.inv' not fetchable due to : HTTPSConnectionPool(host='wiki.fysik.dtu.dk', port=443): Max retries exceeded with url: /gpaw/objects.inv (Caused by NewConnectionError(': Failed to establish a new connection: [Errno -3] Temporary failure in name resolution')) +intersphinx inventory 'https://wiki.fysik.dtu.dk/gpaw/objects.inv' not fetchable due to : HTTPSConnectionPool(host='wiki.fysik.dtu.dk', port=443): Max retries exceeded with url: /gpaw/objects.inv (Caused by NewConnectionError(': Failed to establish a new connection: [Errno -3] Temporary failure in name resolution')) +loading intersphinx inventory from https://docs.python.org/3.7/objects.inv... WARNING: failed to reach any of the inventories with the following issues: -intersphinx inventory 'https://docs.python.org/3.7/objects.inv' not fetchable due to : HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3.7/objects.inv (Caused by NewConnectionError(': Failed to establish a new connection: [Errno -3] Temporary failure in name resolution')) +intersphinx inventory 'https://docs.python.org/3.7/objects.inv' not fetchable due to : HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3.7/objects.inv (Caused by NewConnectionError(': Failed to establish a new connection: [Errno -3] Temporary failure in name resolution')) building [mo]: targets for 0 po files that are out of date building [html]: targets for 168 source files that are out of date updating environment: [new config] 168 added, 0 changed, 0 removed @@ -9384,15 +9417,15 @@ dh_perl -O--buildsystem=pybuild dh_link -O--buildsystem=pybuild dh_strip_nondeterminism -O--buildsystem=pybuild - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/gl/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/ru/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fr/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/eu/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/es/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/de/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/eu/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/ru/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/da/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/es/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/zh_CN/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fr/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/gl/LC_MESSAGES/ag.mo dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild @@ -9410,12 +9443,14 @@ 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/161463/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/161463/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/2433277 and its subdirectories -I: Current time: Fri Feb 7 19:54:56 -12 2025 -I: pbuilder-time-stamp: 1739001296 +I: removing directory /srv/workspace/pbuilder/161463 and its subdirectories +I: Current time: Sun Jan 7 15:43:04 +14 2024 +I: pbuilder-time-stamp: 1704591784