Diff of the two buildlogs: -- --- b1/build.log 2024-01-08 03:41:38.741974752 +0000 +++ b2/build.log 2024-01-08 03:59:08.066658188 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sat Feb 8 21:43:59 -12 2025 -I: pbuilder-time-stamp: 1739094239 +I: Current time: Mon Jan 8 17:41:42 +14 2024 +I: pbuilder-time-stamp: 1704685302 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/bookworm-reproducible-base.tgz] I: copying local configuration @@ -37,49 +37,81 @@ dpkg-source: info: applying matplotlib-3.6.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/2701691/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1736219/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 8 03:41 /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/1736219/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1736219/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: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]="15" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.15(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 parallel=12 ' - DISTRIBUTION='bookworm' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=bookworm + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='c5117b7458c04d999814423a6b5616e2' - 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='2701691' - PS1='# ' - PS2='> ' + INVOCATION_ID=ee4bde7128174d31b423ffaf985348ed + 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=1736219 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.eeax4Tmx/pbuilderrc_0s4W --distribution bookworm --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.eeax4Tmx/b1 --logfile b1/build.log python-ase_3.22.1-3.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.eeax4Tmx/pbuilderrc_yryB --distribution bookworm --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bookworm-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.eeax4Tmx/b2 --logfile b2/build.log python-ase_3.22.1-3.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 7104 -rwxr-xr-x 1 root root 1346480 Apr 23 2023 bash @@ -137,15 +169,15 @@ -rwxr-xr-x 1 root root 68456 Sep 20 2022 readlink -rwxr-xr-x 1 root root 68592 Sep 20 2022 rm -rwxr-xr-x 1 root root 68480 Sep 20 2022 rmdir - -rwxr-xr-x 1 root root 68392 Jul 28 2023 run-parts + -rwxr-xr-x 1 root root 68392 Jul 28 23:46 run-parts -rwxr-xr-x 1 root root 134536 Jan 5 2023 sed - lrwxrwxrwx 1 root root 4 Jan 5 2023 sh -> dash + lrwxrwxrwx 1 root root 9 Jan 8 03:41 sh -> /bin/bash -rwxr-xr-x 1 root root 68432 Sep 20 2022 sleep -rwxr-xr-x 1 root root 134088 Sep 20 2022 stty -rwsr-xr-x 1 root root 133312 Mar 23 2023 su -rwxr-xr-x 1 root root 68448 Sep 20 2022 sync -rwxr-xr-x 1 root root 539896 Apr 6 2023 tar - -rwxr-xr-x 1 root root 67904 Jul 28 2023 tempfile + -rwxr-xr-x 1 root root 67904 Jul 28 23:46 tempfile -rwxr-xr-x 1 root root 134160 Sep 20 2022 touch -rwxr-xr-x 1 root root 68384 Sep 20 2022 true -rwxr-xr-x 1 root root 67664 Mar 23 2023 ulockmgr_server @@ -165,7 +197,7 @@ -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/2701691/tmp/hooks/D02_print_environment finished +I: user script /srv/workspace/pbuilder/1736219/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -484,7 +516,7 @@ Get: 245 http://deb.debian.org/debian bookworm/main arm64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 246 http://deb.debian.org/debian bookworm/main arm64 texlive-base all 2022.20230122-3 [21.9 MB] Get: 247 http://deb.debian.org/debian bookworm/main arm64 texlive-latex-base all 2022.20230122-3 [1182 kB] -Fetched 174 MB in 3s (68.1 MB/s) +Fetched 174 MB in 2s (94.0 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package fonts-lato. (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 ... 18171 files and directories currently installed.) @@ -1275,8 +1307,8 @@ Setting up tzdata (2023c-5+deb12u1) ... Current default time zone: 'Etc/UTC' -Local time is now: Sun Feb 9 09:44:37 UTC 2025. -Universal Time is now: Sun Feb 9 09:44:37 UTC 2025. +Local time is now: Mon Jan 8 03:43:08 UTC 2024. +Universal Time is now: Mon Jan 8 03:43:08 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.0.0-1) ... @@ -1532,7 +1564,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/python-ase-3.22.1/ && 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_3.22.1-3_source.changes +I: user script /srv/workspace/pbuilder/1736219/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for bookworm +I: user script /srv/workspace/pbuilder/1736219/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/python-ase-3.22.1/ && 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_3.22.1-3_source.changes dpkg-buildpackage: info: source package python-ase dpkg-buildpackage: info: source version 3.22.1-3 dpkg-buildpackage: info: source distribution unstable @@ -4755,7 +4791,7 @@ See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html -= 1652 passed, 299 skipped, 3 xfailed, 1 xpassed, 4 warnings in 706.80s (0:11:46) = += 1652 passed, 299 skipped, 3 xfailed, 1 xpassed, 4 warnings in 465.48s (0:07:45) = make[1]: Leaving directory '/build/reproducible-path/python-ase-3.22.1' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild @@ -4883,19 +4919,19 @@ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/counterions.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/autodetect.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/abinit.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/orca.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/exciting.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/fleur.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/qchem.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/demonnano.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/psi4.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/dmol.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/orca.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/gulp.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/onetep.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/mopac.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/psi4.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/fleur.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/dftd3.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/dmol.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/gamess_us.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/acemolecule.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/mopac.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/exciting.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/ff.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/mixing.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/idealgas.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/calculators/__pycache__ @@ -5459,9 +5495,9 @@ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/aff.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/proteindatabank.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/orca.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/exciting.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/dmol.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/gamess_us.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/exciting.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/wannier90.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/vasp.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/rmc6f.cpython-311.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.11/dist-packages/ase/io/__pycache__ @@ -8069,68 +8105,68 @@ make[1]: Entering directory '/build/reproducible-path/python-ase-3.22.1' PATH=/build/reproducible-path/python-ase-3.22.1/bin:${PATH} PYTHONPATH=/build/reproducible-path/python-ase-3.22.1/doc:/build/reproducible-path/python-ase-3.22.1 python3 -m sphinx -b html doc debian/python-ase-doc/usr/share/doc/python-ase-doc/html Running Sphinx v5.3.0 -Matplotlib created a temporary config/cache directory at /tmp/matplotlib-18yn5qhm 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-097i47ts 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 21:57:58 11.881544 5.0770 -PreconLBFGS: 1 21:57:58 9.721479 3.9439 -PreconLBFGS: 2 21:57:58 8.763736 4.8036 -PreconLBFGS: 3 21:57:58 7.844821 3.7443 -PreconLBFGS: 4 21:57:58 6.983034 4.0077 -PreconLBFGS: 5 21:57:59 6.241838 3.4906 -PreconLBFGS: 6 21:57:59 5.431719 3.4055 -PreconLBFGS: 7 21:58:00 4.618000 3.0392 -PreconLBFGS: 8 21:58:00 3.870055 2.6555 -PreconLBFGS: 9 21:58:00 3.227248 2.3331 -PreconLBFGS: 10 21:58:01 2.530719 2.0596 -PreconLBFGS: 11 21:58:01 2.033757 1.7769 -PreconLBFGS: 12 21:58:01 1.512731 1.4761 -PreconLBFGS: 13 21:58:01 1.149587 1.1205 -PreconLBFGS: 14 21:58:02 0.914239 0.8209 -PreconLBFGS: 15 21:58:02 0.788020 0.5450 -PreconLBFGS: 16 21:58:02 0.714341 0.3851 -PreconLBFGS: 17 21:58:03 0.674602 0.2785 -PreconLBFGS: 18 21:58:03 0.652484 0.2171 -PreconLBFGS: 19 21:58:04 0.643906 0.1797 -PreconLBFGS: 20 21:58:04 0.640309 0.1501 -PreconLBFGS: 21 21:58:05 0.638003 0.1324 -PreconLBFGS: 22 21:58:05 0.636776 0.1094 -PreconLBFGS: 23 21:58:06 0.635986 0.0850 -PreconLBFGS: 24 21:58:06 0.635433 0.0522 -PreconLBFGS: 25 21:58:07 0.634973 0.0305 -PreconLBFGS: 26 21:58:07 0.634716 0.0193 -PreconLBFGS: 27 21:58:08 0.634592 0.0132 -PreconLBFGS: 28 21:58:08 0.634522 0.0112 -PreconLBFGS: 29 21:58:09 0.634486 0.0089 -PreconLBFGS: 30 21:58:10 0.634470 0.0083 -PreconLBFGS: 31 21:58:10 0.634462 0.0072 -PreconLBFGS: 32 21:58:11 0.634456 0.0050 -PreconLBFGS: 33 21:58:11 0.634452 0.0030 -PreconLBFGS: 34 21:58:12 0.634449 0.0017 -PreconLBFGS: 35 21:58:12 0.634448 0.0013 -PreconLBFGS: 36 21:58:13 0.634447 0.0009 -PreconLBFGS: 0 21:58:13 11.881544 5.0770 -PreconLBFGS: 1 21:58:14 9.794004 4.0022 -PreconLBFGS: 2 21:58:14 7.255200 3.4746 -PreconLBFGS: 3 21:58:14 5.540273 2.7637 -PreconLBFGS: 4 21:58:15 4.030393 2.2824 -PreconLBFGS: 5 21:58:15 2.861759 1.7993 -PreconLBFGS: 6 21:58:15 1.960588 1.3805 -PreconLBFGS: 7 21:58:16 1.319087 0.9972 -PreconLBFGS: 8 21:58:16 0.913600 0.6490 -PreconLBFGS: 9 21:58:16 0.661975 0.1417 -PreconLBFGS: 10 21:58:17 0.649358 0.0762 -PreconLBFGS: 11 21:58:17 0.637452 0.0305 -PreconLBFGS: 12 21:58:18 0.636014 0.0233 -PreconLBFGS: 13 21:58:18 0.635005 0.0150 -PreconLBFGS: 14 21:58:18 0.634698 0.0076 -PreconLBFGS: 15 21:58:18 0.634546 0.0033 -PreconLBFGS: 16 21:58:18 0.634482 0.0026 -PreconLBFGS: 17 21:58:19 0.634461 0.0020 -PreconLBFGS: 18 21:58:19 0.634453 0.0012 -PreconLBFGS: 19 21:58:19 0.634449 0.0009 +PreconLBFGS: 0 17:54:18 11.881544 5.0770 +PreconLBFGS: 1 17:54:19 9.721479 3.9439 +PreconLBFGS: 2 17:54:19 8.763736 4.8036 +PreconLBFGS: 3 17:54:19 7.844821 3.7443 +PreconLBFGS: 4 17:54:19 6.983034 4.0077 +PreconLBFGS: 5 17:54:19 6.241838 3.4906 +PreconLBFGS: 6 17:54:19 5.431719 3.4055 +PreconLBFGS: 7 17:54:19 4.618000 3.0392 +PreconLBFGS: 8 17:54:19 3.870055 2.6555 +PreconLBFGS: 9 17:54:20 3.227248 2.3331 +PreconLBFGS: 10 17:54:20 2.530719 2.0596 +PreconLBFGS: 11 17:54:20 2.033757 1.7769 +PreconLBFGS: 12 17:54:20 1.512731 1.4761 +PreconLBFGS: 13 17:54:20 1.149587 1.1205 +PreconLBFGS: 14 17:54:20 0.914239 0.8209 +PreconLBFGS: 15 17:54:21 0.788020 0.5450 +PreconLBFGS: 16 17:54:21 0.714341 0.3851 +PreconLBFGS: 17 17:54:21 0.674602 0.2785 +PreconLBFGS: 18 17:54:22 0.652484 0.2171 +PreconLBFGS: 19 17:54:22 0.643906 0.1797 +PreconLBFGS: 20 17:54:22 0.640309 0.1501 +PreconLBFGS: 21 17:54:23 0.638003 0.1324 +PreconLBFGS: 22 17:54:23 0.636776 0.1094 +PreconLBFGS: 23 17:54:23 0.635986 0.0850 +PreconLBFGS: 24 17:54:23 0.635433 0.0522 +PreconLBFGS: 25 17:54:23 0.634973 0.0305 +PreconLBFGS: 26 17:54:24 0.634716 0.0193 +PreconLBFGS: 27 17:54:24 0.634592 0.0132 +PreconLBFGS: 28 17:54:24 0.634522 0.0112 +PreconLBFGS: 29 17:54:25 0.634486 0.0089 +PreconLBFGS: 30 17:54:25 0.634470 0.0083 +PreconLBFGS: 31 17:54:25 0.634462 0.0072 +PreconLBFGS: 32 17:54:25 0.634456 0.0050 +PreconLBFGS: 33 17:54:25 0.634452 0.0030 +PreconLBFGS: 34 17:54:26 0.634449 0.0017 +PreconLBFGS: 35 17:54:26 0.634448 0.0013 +PreconLBFGS: 36 17:54:26 0.634447 0.0009 +PreconLBFGS: 0 17:54:26 11.881544 5.0770 +PreconLBFGS: 1 17:54:27 9.794004 4.0022 +PreconLBFGS: 2 17:54:27 7.255200 3.4746 +PreconLBFGS: 3 17:54:27 5.540273 2.7637 +PreconLBFGS: 4 17:54:27 4.030393 2.2824 +PreconLBFGS: 5 17:54:27 2.861759 1.7993 +PreconLBFGS: 6 17:54:27 1.960588 1.3805 +PreconLBFGS: 7 17:54:27 1.319087 0.9972 +PreconLBFGS: 8 17:54:28 0.913600 0.6490 +PreconLBFGS: 9 17:54:28 0.661975 0.1417 +PreconLBFGS: 10 17:54:28 0.649358 0.0762 +PreconLBFGS: 11 17:54:28 0.637452 0.0305 +PreconLBFGS: 12 17:54:28 0.636014 0.0233 +PreconLBFGS: 13 17:54:28 0.635005 0.0150 +PreconLBFGS: 14 17:54:29 0.634698 0.0076 +PreconLBFGS: 15 17:54:29 0.634546 0.0033 +PreconLBFGS: 16 17:54:29 0.634482 0.0026 +PreconLBFGS: 17 17:54:29 0.634461 0.0020 +PreconLBFGS: 18 17:54:29 0.634453 0.0012 +PreconLBFGS: 19 17:54:29 0.634449 0.0009 ./doc/ase precon.png running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png @@ -8253,23 +8289,23 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 21:58:51 1.419426 9.8029 -BFGS: 1 21:58:51 2.139894 7.9322 -BFGS: 2 21:58:51 1.280719 4.9902 -BFGS: 3 21:58:51 2.298637 21.4603 -BFGS: 4 21:58:51 1.122419 2.7684 -BFGS: 5 21:58:51 1.081517 1.3439 -BFGS: 6 21:58:51 1.070848 0.2363 -BFGS: 7 21:58:51 1.070543 0.0157 -BFGS: 8 21:58:51 1.070541 0.0002 +BFGS: 0 17:54:47 1.419426 9.8029 +BFGS: 1 17:54:47 2.139894 7.9322 +BFGS: 2 17:54:47 1.280719 4.9902 +BFGS: 3 17:54:47 2.298637 21.4603 +BFGS: 4 17:54:47 1.122419 2.7684 +BFGS: 5 17:54:47 1.081517 1.3439 +BFGS: 6 17:54:47 1.070848 0.2363 +BFGS: 7 17:54:47 1.070543 0.0157 +BFGS: 8 17:54:47 1.070541 0.0002 /build/reproducible-path/python-ase-3.22.1/ase/phasediagram.py:253: OptimizeWarning: Unknown solver options: lstsq result = linprog(c=energies, relaxed : True id : 2 -unique_id : b170f1d3069896ddd3dce1b9b0a277c6 -ctime : 25.110082246700443 -mtime : 25.110082246700443 -user : pbuilder1 +unique_id : ee59245929bb7f899223145a921a91b5 +ctime : 24.01972545385499 +mtime : 24.01972545385499 +user : pbuilder2 numbers : [1 1] positions : [[-7.69753996e-18 -1.68344362e-17 -3.95240142e-02] [-4.77050549e-19 -3.79331095e-18 7.39524014e-01]] @@ -8424,9 +8460,9 @@ running: ./doc/gettingstarted/surface.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:00:53 11.689927* 1.0797 -BFGSLineSearch: 1[ 2] 22:00:53 11.670814* 0.4090 -BFGSLineSearch: 2[ 4] 22:00:53 11.625880* 0.0409 +BFGSLineSearch: 0[ 0] 17:56:09 11.689927* 1.0797 +BFGSLineSearch: 1[ 2] 17:56:09 11.670814* 0.4090 +BFGSLineSearch: 2[ 4] 17:56:09 11.625880* 0.0409 Adsorption energy: 0.32351942231800734 ./doc/gettingstarted surface.png running: ./doc/gettingstarted/manipulating_atoms/manipulating_atoms.py @@ -8444,92 +8480,92 @@ True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:00:55 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 22:00:55 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 22:00:55 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 22:00:55 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 17:56:10 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 17:56:10 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 17:56:10 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 17:56:10 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:00:55 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 22:00:55 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 22:00:55 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 22:00:56 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 17:56:10 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 17:56:10 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 17:56:10 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 17:56:10 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 22:00:56 4.969997 1.0132 -MDMin: 1 22:00:56 4.922173 0.8526 -MDMin: 2 22:00:56 4.833353 0.4715 -MDMin: 3 22:00:56 4.783147 0.1445 -MDMin: 4 22:00:57 4.762840 0.1083 -MDMin: 5 22:00:57 4.748802 0.1243 -MDMin: 6 22:00:57 4.738339 0.1125 -MDMin: 7 22:00:57 4.734398 0.1373 -MDMin: 8 22:00:57 4.733206 0.1291 -MDMin: 9 22:00:58 4.730681 0.1066 -MDMin: 10 22:00:58 4.728545 0.0796 -MDMin: 11 22:00:58 4.726697 0.0670 -MDMin: 12 22:00:58 4.724795 0.0553 -MDMin: 13 22:00:58 4.723081 0.0394 +MDMin: 0 17:56:10 4.969997 1.0132 +MDMin: 1 17:56:10 4.922173 0.8526 +MDMin: 2 17:56:10 4.833353 0.4715 +MDMin: 3 17:56:10 4.783147 0.1445 +MDMin: 4 17:56:10 4.762840 0.1083 +MDMin: 5 17:56:11 4.748802 0.1243 +MDMin: 6 17:56:11 4.738339 0.1125 +MDMin: 7 17:56:11 4.734398 0.1373 +MDMin: 8 17:56:11 4.733206 0.1291 +MDMin: 9 17:56:11 4.730681 0.1066 +MDMin: 10 17:56:11 4.728545 0.0796 +MDMin: 11 17:56:11 4.726697 0.0670 +MDMin: 12 17:56:11 4.724795 0.0553 +MDMin: 13 17:56:11 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] 22:00:58 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 22:00:58 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 22:00:58 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 22:00:58 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 17:56:11 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 17:56:11 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 17:56:11 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 17:56:11 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:00:59 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 22:00:59 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 22:00:59 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 22:00:59 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 17:56:11 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 17:56:12 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 17:56:12 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 17:56:12 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 22:00:59 7.907337 7.4468 -MDMin: 1 22:00:59 6.168331 3.6842 -MDMin: 2 22:00:59 5.447472 1.0574 -MDMin: 3 22:00:59 5.396259 0.8197 -MDMin: 4 22:01:00 5.309107 0.5214 -MDMin: 5 22:01:00 5.249202 0.4171 -MDMin: 6 22:01:00 5.211870 0.1746 -MDMin: 7 22:01:00 5.193370 0.2491 -MDMin: 8 22:01:00 5.186767 0.1250 -MDMin: 9 22:01:00 5.184593 0.0800 -MDMin: 10 22:01:01 5.182310 0.0874 -MDMin: 11 22:01:01 5.179945 0.0682 -MDMin: 12 22:01:01 5.177732 0.0547 -MDMin: 13 22:01:01 5.175962 0.0309 +MDMin: 0 17:56:12 7.907337 7.4468 +MDMin: 1 17:56:12 6.168331 3.6842 +MDMin: 2 17:56:12 5.447472 1.0574 +MDMin: 3 17:56:12 5.396259 0.8197 +MDMin: 4 17:56:12 5.309107 0.5214 +MDMin: 5 17:56:12 5.249202 0.4171 +MDMin: 6 17:56:12 5.211870 0.1746 +MDMin: 7 17:56:12 5.193370 0.2491 +MDMin: 8 17:56:12 5.186767 0.1250 +MDMin: 9 17:56:13 5.184593 0.0800 +MDMin: 10 17:56:13 5.182310 0.0874 +MDMin: 11 17:56:13 5.179945 0.0682 +MDMin: 12 17:56:13 5.177732 0.0547 +MDMin: 13 17:56:13 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] 22:01:01 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 22:01:01 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 22:01:01 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 22:01:01 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 17:56:13 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 17:56:13 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 17:56:13 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 17:56:13 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:01:01 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 22:01:01 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 22:01:01 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 22:01:01 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 17:56:13 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 17:56:13 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 17:56:13 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 17:56:13 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 22:01:02 5.433815 1.1528 -MDMin: 1 22:01:02 5.352153 1.0378 -MDMin: 2 22:01:02 5.179224 0.7749 -MDMin: 3 22:01:02 5.033743 0.4672 -MDMin: 4 22:01:02 4.952170 0.2689 -MDMin: 5 22:01:03 4.905035 0.1593 -MDMin: 6 22:01:03 4.877860 0.1282 -MDMin: 7 22:01:03 4.868891 0.1395 -MDMin: 8 22:01:03 4.868163 0.1307 -MDMin: 9 22:01:03 4.866419 0.1103 -MDMin: 10 22:01:03 4.864367 0.0944 -MDMin: 11 22:01:04 4.862194 0.0893 -MDMin: 12 22:01:04 4.859895 0.0854 -MDMin: 13 22:01:04 4.857565 0.0801 -MDMin: 14 22:01:04 4.855300 0.0720 -MDMin: 15 22:01:04 4.853137 0.0588 -MDMin: 16 22:01:05 4.851083 0.0461 +MDMin: 0 17:56:13 5.433815 1.1528 +MDMin: 1 17:56:13 5.352153 1.0378 +MDMin: 2 17:56:14 5.179224 0.7749 +MDMin: 3 17:56:14 5.033743 0.4672 +MDMin: 4 17:56:14 4.952170 0.2689 +MDMin: 5 17:56:14 4.905035 0.1593 +MDMin: 6 17:56:14 4.877860 0.1282 +MDMin: 7 17:56:14 4.868891 0.1395 +MDMin: 8 17:56:14 4.868163 0.1307 +MDMin: 9 17:56:14 4.866419 0.1103 +MDMin: 10 17:56:14 4.864367 0.0944 +MDMin: 11 17:56:14 4.862194 0.0893 +MDMin: 12 17:56:14 4.859895 0.0854 +MDMin: 13 17:56:14 4.857565 0.0801 +MDMin: 14 17:56:14 4.855300 0.0720 +MDMin: 15 17:56:15 4.853137 0.0588 +MDMin: 16 17:56:15 4.851083 0.0461 ./doc/tutorials test.txt running: ./doc/tutorials/saving_graphics.py ./doc/tutorials nice.png @@ -8538,38 +8574,38 @@ running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:01:07 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 22:01:07 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 17:56:16 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 17:56:16 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:01:07 3.730166* 1.6460 -BFGSLineSearch: 1[ 2] 22:01:07 3.546230* 0.2605 -BFGSLineSearch: 2[ 4] 22:01:07 3.513795* 0.1080 -BFGSLineSearch: 3[ 6] 22:01:07 3.502279* 0.0500 +BFGSLineSearch: 0[ 0] 17:56:16 3.730166* 1.6460 +BFGSLineSearch: 1[ 2] 17:56:16 3.546230* 0.2605 +BFGSLineSearch: 2[ 4] 17:56:16 3.513795* 0.1080 +BFGSLineSearch: 3[ 6] 17:56:16 3.502279* 0.0500 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:01:07 3.764262* 1.0444 -BFGSLineSearch: 1[ 2] 22:01:07 3.708446* 0.1203 -BFGSLineSearch: 2[ 4] 22:01:07 3.695835* 0.0668 -BFGSLineSearch: 3[ 6] 22:01:07 3.691660* 0.0618 -BFGSLineSearch: 4[ 7] 22:01:07 3.690089* 0.0300 +BFGSLineSearch: 0[ 0] 17:56:16 3.764262* 1.0444 +BFGSLineSearch: 1[ 2] 17:56:16 3.708446* 0.1203 +BFGSLineSearch: 2[ 4] 17:56:16 3.695835* 0.0668 +BFGSLineSearch: 3[ 6] 17:56:16 3.691660* 0.0618 +BFGSLineSearch: 4[ 7] 17:56:16 3.690089* 0.0300 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:01:07 3.580034* 0.6521 -BFGSLineSearch: 1[ 1] 22:01:07 3.544894* 0.1627 -BFGSLineSearch: 2[ 3] 22:01:07 3.516850* 0.1946 -BFGSLineSearch: 3[ 4] 22:01:07 3.508545* 0.1325 -BFGSLineSearch: 4[ 5] 22:01:08 3.503316* 0.1022 -BFGSLineSearch: 5[ 6] 22:01:08 3.500392* 0.0550 -BFGSLineSearch: 6[ 8] 22:01:08 3.499584* 0.0392 +BFGSLineSearch: 0[ 0] 17:56:16 3.580034* 0.6521 +BFGSLineSearch: 1[ 1] 17:56:16 3.544894* 0.1627 +BFGSLineSearch: 2[ 3] 17:56:16 3.516850* 0.1946 +BFGSLineSearch: 3[ 4] 17:56:16 3.508545* 0.1325 +BFGSLineSearch: 4[ 5] 17:56:16 3.503316* 0.1022 +BFGSLineSearch: 5[ 6] 17:56:16 3.500392* 0.0550 +BFGSLineSearch: 6[ 8] 17:56:17 3.499584* 0.0392 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:01:08 3.463634* 0.5332 -BFGSLineSearch: 1[ 2] 22:01:08 3.356702* 0.4028 -BFGSLineSearch: 2[ 3] 22:01:08 3.333298* 0.1536 -BFGSLineSearch: 3[ 4] 22:01:08 3.322604* 0.1003 -BFGSLineSearch: 4[ 5] 22:01:08 3.318477* 0.0658 -BFGSLineSearch: 5[ 6] 22:01:08 3.316534* 0.0483 +BFGSLineSearch: 0[ 0] 17:56:17 3.463634* 0.5332 +BFGSLineSearch: 1[ 2] 17:56:17 3.356702* 0.4028 +BFGSLineSearch: 2[ 3] 17:56:17 3.333298* 0.1536 +BFGSLineSearch: 3[ 4] 17:56:17 3.322604* 0.1003 +BFGSLineSearch: 4[ 5] 17:56:17 3.318477* 0.0658 +BFGSLineSearch: 5[ 6] 17:56:17 3.316534* 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -8614,588 +8650,584 @@ Creating and evaluating generation 9 Creating and evaluating generation 10 Species: Cu, Pt -References: 527 +References: 523 0 Cu24 -0.000 1 Pt24 -0.000 -2 Cu22Pt2 -0.612 -3 Cu11Pt13 -1.765 -4 Cu18Pt6 -1.305 -5 Cu22Pt2 -0.624 -6 Cu10Pt14 -1.644 -7 Cu15Pt9 -1.674 -8 Cu6Pt18 -1.180 -9 Cu8Pt16 -1.535 -10 Cu20Pt4 -1.131 -11 Cu9Pt15 -1.510 -12 Cu23Pt -0.359 -13 Cu5Pt19 -1.154 -14 Cu16Pt8 -1.482 -15 Cu23Pt -0.309 -16 Cu17Pt7 -1.493 -17 Cu7Pt17 -1.183 -18 Cu21Pt3 -0.966 -19 Cu13Pt11 -2.014 -20 Cu19Pt5 -1.385 -21 Cu8Pt16 -1.790 -22 Cu19Pt5 -1.214 -23 Cu13Pt11 -1.938 -24 Cu10Pt14 -1.436 -25 Cu18Pt6 -1.416 -26 Cu19Pt5 -1.478 -27 Cu3Pt21 -0.659 -28 Cu3Pt21 -0.608 -29 Cu23Pt -0.309 -30 Cu11Pt13 -1.835 -31 Cu15Pt9 -1.894 -32 Cu17Pt7 -1.722 -33 Cu15Pt9 -1.725 -34 Cu6Pt18 -1.247 -35 Cu14Pt10 -1.587 -36 Cu20Pt4 -1.144 -37 Cu10Pt14 -1.532 -38 Cu3Pt21 -0.687 -39 Cu2Pt22 -0.509 -40 Cu5Pt19 -1.273 -41 Cu7Pt17 -0.917 -42 Cu10Pt14 -1.434 -43 Cu13Pt11 -1.424 -44 Cu17Pt7 -1.387 -45 Cu7Pt17 -1.629 -46 Cu21Pt3 -0.890 -47 Cu15Pt9 -1.546 -48 Cu21Pt3 -0.936 -49 Cu3Pt21 -0.708 -50 Cu11Pt13 -1.949 -51 Cu7Pt17 -0.892 -52 Cu15Pt9 -1.431 -53 Cu19Pt5 -1.377 -54 Pt24 0.000 -55 Cu12Pt12 -1.904 -56 Cu4Pt20 -1.083 -57 Cu17Pt7 -1.604 -58 Cu16Pt8 -1.511 -59 Cu13Pt11 -1.380 -60 Cu6Pt18 -1.083 -61 Cu11Pt13 -1.720 -62 Cu17Pt7 -1.668 -63 Cu14Pt10 -1.602 -64 Cu22Pt2 -0.629 -65 Cu20Pt4 -1.222 -66 Cu17Pt7 -1.696 -67 Cu15Pt9 -1.619 -68 Cu18Pt6 -1.464 -69 Cu9Pt15 -1.091 -70 Cu12Pt12 -1.739 -71 Cu19Pt5 -1.096 -72 Cu2Pt22 -0.449 -73 Cu7Pt17 -1.418 -74 Cu19Pt5 -1.302 -75 Cu12Pt12 -1.750 -76 Cu8Pt16 -1.301 -77 Cu20Pt4 -1.136 -78 Cu5Pt19 -1.278 -79 Cu17Pt7 -1.690 -80 Cu16Pt8 -0.707 -81 Cu14Pt10 -0.880 -82 Cu11Pt13 -1.988 -83 Cu5Pt19 -1.202 -84 Cu9Pt15 -1.032 -85 Cu15Pt9 -1.986 -86 Cu5Pt19 -1.062 -87 Cu13Pt11 -1.463 -88 Cu13Pt11 -1.517 -89 Cu11Pt13 -1.654 -90 Cu17Pt7 -1.693 -91 Cu6Pt18 -1.196 -92 Cu6Pt18 -1.229 -93 Cu2Pt22 -0.444 -94 Cu8Pt16 -1.152 -95 Cu14Pt10 -1.643 -96 Cu14Pt10 -1.878 -97 Cu19Pt5 -1.059 -98 Cu8Pt16 -1.675 -99 Cu11Pt13 -1.988 -100 Cu7Pt17 -1.283 -101 Cu15Pt9 -1.735 -102 Cu22Pt2 -0.560 -103 Cu6Pt18 -0.948 -104 Cu11Pt13 -2.023 -105 Cu18Pt6 -1.404 -106 Cu23Pt -0.359 -107 Cu12Pt12 -2.024 -108 Cu16Pt8 -1.824 -109 Cu12Pt12 -1.557 -110 Cu15Pt9 -1.669 -111 Cu19Pt5 -1.039 -112 Cu9Pt15 -1.780 -113 Cu16Pt8 -1.247 -114 Cu9Pt15 -1.715 -115 Cu19Pt5 -1.379 -116 Cu19Pt5 -1.359 -117 Cu7Pt17 -0.952 -118 Cu18Pt6 -0.998 -119 Cu11Pt13 -1.018 -120 Cu11Pt13 -1.624 -121 Cu6Pt18 -1.290 -122 Cu11Pt13 -1.552 -123 Cu9Pt15 -1.775 -124 Cu4Pt20 -0.863 -125 Cu5Pt19 -1.150 -126 Cu6Pt18 -1.202 -127 Cu23Pt -0.309 -128 Cu20Pt4 -1.168 -129 CuPt23 -0.224 -130 Cu5Pt19 -1.271 -131 Cu5Pt19 -1.027 -132 Cu10Pt14 -1.275 -133 Cu22Pt2 -0.629 -134 Cu13Pt11 -1.541 -135 Cu11Pt13 -1.846 -136 Cu7Pt17 -1.539 -137 Cu13Pt11 -1.947 -138 Cu13Pt11 -1.457 -139 Cu4Pt20 -0.958 -140 Cu23Pt -0.309 -141 Cu8Pt16 -1.754 -142 Cu19Pt5 -1.365 -143 Cu5Pt19 -1.150 -144 Cu5Pt19 -1.215 -145 Cu4Pt20 -0.981 -146 Cu6Pt18 -1.091 -147 Cu17Pt7 -1.618 -148 Cu17Pt7 -1.535 -149 Cu14Pt10 -1.272 -150 Cu13Pt11 -1.718 -151 Cu23Pt -0.359 -152 Cu21Pt3 -0.919 -153 Cu15Pt9 -1.524 -154 Cu14Pt10 -1.380 -155 Cu4Pt20 -0.929 -156 CuPt23 -0.224 -157 Cu7Pt17 -1.029 -158 Cu6Pt18 -1.109 -159 Cu6Pt18 -1.301 -160 Cu21Pt3 -0.784 -161 Cu9Pt15 -1.880 -162 Cu14Pt10 -1.910 -163 Cu18Pt6 -1.540 -164 Cu22Pt2 -0.521 -165 Cu19Pt5 -1.477 -166 Cu2Pt22 -0.623 -167 Cu3Pt21 -0.527 -168 Cu19Pt5 -1.270 -169 Cu10Pt14 -1.310 -170 Cu8Pt16 -1.498 -171 Cu16Pt8 -1.674 -172 Cu15Pt9 -0.897 -173 Cu4Pt20 -0.845 -174 Cu2Pt22 -0.565 -175 Cu11Pt13 -1.613 -176 Cu12Pt12 -1.863 -177 Cu18Pt6 -1.724 -178 Cu9Pt15 -1.105 -179 Cu23Pt -0.359 -180 Cu10Pt14 -1.635 -181 Cu9Pt15 -1.682 -182 Cu17Pt7 -1.653 -183 Cu9Pt15 -1.774 -184 Cu17Pt7 -1.590 -185 Cu7Pt17 -1.135 -186 Cu13Pt11 -1.857 -187 Cu18Pt6 -1.626 -188 Cu11Pt13 -1.827 -189 Cu9Pt15 -1.730 -190 CuPt23 -0.224 -191 Cu20Pt4 -1.214 -192 Cu15Pt9 -2.100 -193 Cu10Pt14 -1.722 -194 Cu20Pt4 -1.136 -195 Cu2Pt22 -0.444 -196 Cu9Pt15 -1.796 -197 Cu19Pt5 -1.385 -198 Cu12Pt12 -1.552 -199 Cu14Pt10 -1.677 -200 Cu14Pt10 -1.866 -201 Cu21Pt3 -0.802 -202 Cu10Pt14 -1.891 -203 Cu4Pt20 -1.002 -204 CuPt23 -0.224 -205 Cu13Pt11 -2.062 -206 Cu14Pt10 -1.000 -207 Cu3Pt21 -0.747 -208 Cu16Pt8 -1.015 -209 CuPt23 -0.336 -210 Cu11Pt13 -2.087 -211 Cu18Pt6 -1.136 -212 Cu18Pt6 -1.468 -213 Cu15Pt9 -2.035 -214 Cu17Pt7 -1.109 -215 Cu21Pt3 -0.933 -216 Cu8Pt16 -1.600 -217 Cu4Pt20 -0.872 -218 Cu12Pt12 -1.746 -219 Cu13Pt11 -1.022 -220 Cu8Pt16 -0.867 -221 Cu6Pt18 -1.241 -222 CuPt23 -0.224 -223 Cu7Pt17 -1.032 -224 Cu18Pt6 -1.008 -225 Cu5Pt19 -1.251 -226 Cu15Pt9 -1.456 -227 Cu13Pt11 -1.843 -228 Cu5Pt19 -1.107 -229 Cu14Pt10 -1.919 -230 Cu11Pt13 -1.819 -231 Cu19Pt5 -1.167 -232 Cu9Pt15 -1.781 -233 Cu13Pt11 -1.743 -234 Cu2Pt22 -0.545 -235 Cu2Pt22 -0.570 -236 Cu23Pt -0.309 -237 Cu21Pt3 -0.888 -238 Cu9Pt15 -1.685 -239 Cu9Pt15 -1.880 -240 Cu4Pt20 -1.068 -241 Cu14Pt10 -1.938 -242 Cu10Pt14 -1.831 -243 Cu16Pt8 -1.391 -244 Cu17Pt7 -1.340 -245 Cu21Pt3 -0.923 -246 CuPt23 -0.224 -247 Cu17Pt7 -1.725 -248 Cu6Pt18 -1.085 -249 Cu12Pt12 -1.766 -250 Cu7Pt17 -1.659 -251 Cu16Pt8 -1.926 -252 Cu5Pt19 -1.096 -253 Cu19Pt5 -1.412 -254 Cu11Pt13 -1.762 -255 Cu16Pt8 -1.967 -256 Cu12Pt12 -1.899 -257 Cu14Pt10 -1.939 -258 Cu16Pt8 -1.415 -259 Cu7Pt17 -0.996 -260 Cu6Pt18 -1.237 -261 Cu2Pt22 -0.577 -262 Cu19Pt5 -1.340 -263 Cu22Pt2 -0.626 -264 Cu15Pt9 -1.602 -265 Cu4Pt20 -1.113 -266 Cu9Pt15 -1.740 -267 Cu4Pt20 -0.967 -268 Cu9Pt15 -1.679 -269 Cu5Pt19 -1.348 -270 Cu5Pt19 -0.785 -271 Cu17Pt7 -1.817 -272 Cu9Pt15 -1.777 -273 Cu2Pt22 -0.445 -274 Cu11Pt13 -1.843 -275 Cu8Pt16 -1.750 -276 Cu16Pt8 -1.906 -277 Cu18Pt6 -1.472 -278 Cu2Pt22 -0.577 -279 Cu6Pt18 -1.301 -280 Cu9Pt15 -1.679 -281 Cu14Pt10 -1.221 -282 Cu10Pt14 -1.755 -283 Cu13Pt11 -1.374 -284 Cu15Pt9 -1.994 -285 Cu7Pt17 -1.293 -286 Cu12Pt12 -2.001 -287 Cu7Pt17 -1.577 -288 Cu21Pt3 -0.847 -289 Cu15Pt9 -2.024 -290 Cu19Pt5 -1.478 -291 Cu18Pt6 -0.713 -292 Cu12Pt12 -1.999 -293 Cu5Pt19 -0.970 -294 Cu11Pt13 -1.957 -295 Cu8Pt16 -1.599 -296 Cu2Pt22 -0.541 -297 Cu18Pt6 -1.655 -298 Cu5Pt19 -1.346 -299 Cu14Pt10 -2.020 -300 Cu15Pt9 -1.620 -301 Cu11Pt13 -1.246 -302 Cu9Pt15 -1.442 -303 Cu11Pt13 -1.654 -304 Cu15Pt9 -1.698 -305 Cu5Pt19 -1.278 -306 Cu13Pt11 -1.856 -307 Cu13Pt11 -2.021 -308 Cu8Pt16 -1.568 -309 Cu3Pt21 -0.661 -310 Cu12Pt12 -1.997 -311 Cu19Pt5 -1.531 -312 Cu11Pt13 -1.500 -313 Cu10Pt14 -1.879 -314 Cu10Pt14 -0.884 -315 Cu3Pt21 -0.433 -316 Cu8Pt16 -1.735 -317 Cu10Pt14 -1.583 -318 Cu10Pt14 -1.312 -319 Cu3Pt21 -0.433 -320 Cu19Pt5 -1.381 -321 Cu13Pt11 -1.437 -322 Cu2Pt22 -0.623 -323 Cu7Pt17 -0.688 -324 Cu2Pt22 -0.501 -325 Cu16Pt8 -1.233 -326 Cu10Pt14 -1.745 -327 Cu10Pt14 -1.603 -328 Cu7Pt17 -1.471 -329 Cu15Pt9 -1.138 -330 Cu11Pt13 -2.062 -331 Cu22Pt2 -0.521 -332 Cu6Pt18 -1.472 -333 Cu16Pt8 -1.902 -334 Cu12Pt12 -1.400 -335 Cu18Pt6 -1.546 -336 Cu3Pt21 -0.946 -337 Cu3Pt21 -0.777 -338 Cu11Pt13 -1.486 -339 Cu14Pt10 -2.096 -340 Cu12Pt12 -2.094 -341 Cu9Pt15 -1.507 -342 Cu16Pt8 -1.415 -343 Cu3Pt21 -0.661 -344 Cu12Pt12 -2.017 -345 Cu15Pt9 -1.451 -346 Cu19Pt5 -1.070 -347 Cu13Pt11 -1.817 -348 Cu6Pt18 -1.197 -349 Cu22Pt2 -0.560 -350 Cu4Pt20 -0.996 -351 Cu14Pt10 -1.659 -352 Cu5Pt19 -0.958 -353 Cu15Pt9 -1.401 -354 Cu15Pt9 -1.814 -355 Cu16Pt8 -1.254 -356 Cu21Pt3 -0.935 -357 Cu11Pt13 -2.031 -358 Cu22Pt2 -0.521 -359 Cu12Pt12 -1.652 -360 Cu10Pt14 -2.018 -361 Cu18Pt6 -1.738 -362 Cu6Pt18 -1.117 -363 Cu16Pt8 -1.540 -364 Cu22Pt2 -0.629 -365 Cu16Pt8 -1.687 -366 Cu14Pt10 -1.850 -367 CuPt23 -0.224 -368 Cu10Pt14 -1.806 -369 Cu9Pt15 -1.622 -370 Cu22Pt2 -0.626 -371 Cu19Pt5 -1.392 -372 Cu8Pt16 -1.641 -373 Cu17Pt7 -1.532 -374 Cu21Pt3 -0.966 -375 Cu16Pt8 -1.736 -376 Cu18Pt6 -1.419 -377 Cu16Pt8 -1.926 -378 Cu23Pt -0.309 -379 Cu11Pt13 -1.952 -380 Cu5Pt19 -0.776 -381 Cu9Pt15 -1.872 -382 Cu18Pt6 -0.914 -383 Cu3Pt21 -0.894 -384 Cu2Pt22 -0.509 -385 Cu6Pt18 -1.228 -386 Cu10Pt14 -1.966 -387 Cu16Pt8 -1.824 -388 Cu7Pt17 -1.351 -389 Cu18Pt6 -1.209 -390 Cu5Pt19 -1.346 -391 Cu21Pt3 -0.798 -392 Cu12Pt12 -2.053 -393 Cu14Pt10 -1.786 -394 Cu6Pt18 -1.073 -395 Cu18Pt6 -1.354 -396 Cu14Pt10 -2.033 -397 Cu15Pt9 -0.928 -398 Cu15Pt9 -1.732 -399 Cu15Pt9 -0.896 -400 Cu15Pt9 -1.727 -401 Cu19Pt5 -1.204 -402 Cu13Pt11 -2.067 -403 Cu7Pt17 -1.641 -404 Cu4Pt20 -0.952 -405 Cu22Pt2 -0.629 -406 Cu14Pt10 -1.869 -407 Cu3Pt21 -0.693 -408 Cu10Pt14 -1.507 -409 Cu6Pt18 -1.228 -410 Cu11Pt13 -2.134 -411 Cu13Pt11 -1.955 -412 Cu20Pt4 -1.070 -413 Cu17Pt7 -1.688 -414 Cu5Pt19 -1.238 -415 Cu19Pt5 -1.223 -416 Cu5Pt19 -0.548 -417 Cu14Pt10 -1.874 -418 Cu7Pt17 -1.622 -419 Cu10Pt14 -1.664 -420 Cu6Pt18 -1.483 -421 Cu13Pt11 -1.951 -422 Cu3Pt21 -0.946 -423 Cu15Pt9 -1.683 -424 Cu10Pt14 -1.930 -425 Cu12Pt12 -1.982 -426 Cu7Pt17 -1.055 -427 Cu8Pt16 -1.849 -428 Cu20Pt4 -1.278 -429 Cu14Pt10 -1.899 -430 Cu6Pt18 -1.474 -431 Cu6Pt18 -1.475 -432 Cu2Pt22 -0.623 -433 Cu11Pt13 -1.809 -434 Cu3Pt21 -0.946 -435 Cu17Pt7 -1.799 -436 Cu11Pt13 -1.833 -437 Cu19Pt5 -1.249 -438 Cu10Pt14 -1.957 -439 Cu13Pt11 -1.278 -440 Cu14Pt10 -1.695 -441 Cu5Pt19 -1.195 -442 Cu10Pt14 -1.926 -443 Cu15Pt9 -1.747 -444 Cu5Pt19 -1.307 -445 Cu13Pt11 -1.781 -446 Cu13Pt11 -1.770 -447 Cu21Pt3 -0.966 -448 Cu8Pt16 -1.266 -449 Cu11Pt13 -1.533 -450 Cu16Pt8 -1.983 -451 Cu2Pt22 -0.509 -452 Cu17Pt7 -1.566 -453 Cu17Pt7 -1.751 -454 Cu22Pt2 -0.560 -455 Cu7Pt17 -0.999 -456 Cu9Pt15 -2.008 -457 Cu7Pt17 -0.714 -458 CuPt23 -0.224 -459 Cu8Pt16 -1.634 -460 Cu18Pt6 -1.583 -461 Cu14Pt10 -1.369 -462 Cu7Pt17 -1.463 -463 Cu5Pt19 -1.296 -464 Cu23Pt -0.309 -465 Cu15Pt9 -1.936 -466 Cu15Pt9 -1.721 -467 Cu4Pt20 -1.191 -468 Cu13Pt11 -1.690 -469 Cu16Pt8 -1.831 -470 CuPt23 -0.336 -471 Cu11Pt13 -2.199 -472 Cu17Pt7 -1.477 -473 Cu18Pt6 -1.301 -474 Cu15Pt9 -1.453 -475 Cu6Pt18 -1.168 -476 Cu22Pt2 -0.627 -477 Cu12Pt12 -1.507 -478 Cu7Pt17 -1.297 -479 Cu18Pt6 -0.962 -480 Cu19Pt5 -1.409 -481 Cu16Pt8 -1.815 -482 Cu20Pt4 -1.136 -483 Cu17Pt7 -1.779 -484 Cu15Pt9 -1.421 -485 Cu5Pt19 -1.045 -486 Cu23Pt -0.309 -487 Cu5Pt19 -1.150 -488 Cu5Pt19 -1.270 -489 Cu6Pt18 -1.207 -490 Cu20Pt4 -1.219 -491 Cu5Pt19 -1.107 -492 Cu2Pt22 -0.709 -493 Cu13Pt11 -1.991 -494 Cu17Pt7 -1.740 -495 Cu11Pt13 -1.587 -496 Cu17Pt7 -1.677 -497 Cu13Pt11 -1.304 -498 Cu8Pt16 -1.525 -499 Cu20Pt4 -1.132 -500 Cu8Pt16 -1.539 -501 Cu13Pt11 -1.898 -502 Cu14Pt10 -2.003 -503 Cu21Pt3 -0.850 -504 Cu17Pt7 -1.844 -505 Cu15Pt9 -1.988 -506 Cu18Pt6 -0.962 -507 Cu10Pt14 -1.834 -508 Cu13Pt11 -2.121 -509 Cu2Pt22 -0.449 -510 Cu6Pt18 -1.259 -511 Cu23Pt -0.309 -512 Cu3Pt21 -0.946 -513 Cu2Pt22 -0.709 -514 CuPt23 -0.224 -515 Cu12Pt12 -1.565 -516 Cu5Pt19 -1.260 -517 Cu11Pt13 -2.086 -518 Cu12Pt12 -1.985 -519 Cu6Pt18 -1.386 -520 Cu8Pt16 -1.711 -521 Cu4Pt20 -1.140 -522 Cu10Pt14 -1.906 -523 Cu8Pt16 -1.790 -524 Cu20Pt4 -1.028 -525 Cu16Pt8 -1.999 -526 Cu14Pt10 -1.982 -Simplices: 12 +2 Cu4Pt20 -1.054 +3 Cu2Pt22 -0.381 +4 Cu16Pt8 -1.764 +5 Cu11Pt13 -1.892 +6 Cu6Pt18 -1.410 +7 Cu13Pt11 -1.969 +8 Cu23Pt -0.359 +9 Cu11Pt13 -1.406 +10 Cu13Pt11 -2.008 +11 Cu19Pt5 -1.366 +12 Cu12Pt12 -1.582 +13 Cu22Pt2 -0.625 +14 Cu16Pt8 -1.490 +15 CuPt23 -0.224 +16 Cu5Pt19 -1.066 +17 Cu4Pt20 -0.983 +18 Cu18Pt6 -1.245 +19 Cu12Pt12 -1.771 +20 Cu12Pt12 -1.766 +21 Cu11Pt13 -1.666 +22 Cu23Pt -0.309 +23 Cu5Pt19 -0.962 +24 Cu5Pt19 -1.135 +25 Cu3Pt21 -0.707 +26 Cu13Pt11 -1.923 +27 Cu9Pt15 -1.546 +28 Cu17Pt7 -1.396 +29 Cu3Pt21 -0.599 +30 Cu9Pt15 -1.732 +31 Cu11Pt13 -1.567 +32 Cu11Pt13 -1.251 +33 Cu21Pt3 -0.888 +34 Cu23Pt -0.359 +35 Cu21Pt3 -0.798 +36 Cu4Pt20 -1.112 +37 Cu9Pt15 -1.629 +38 Cu8Pt16 -1.662 +39 Cu6Pt18 -1.281 +40 Cu2Pt22 -0.577 +41 Cu9Pt15 -1.607 +42 Cu2Pt22 -0.509 +43 Cu5Pt19 -1.395 +44 Cu23Pt -0.309 +45 Cu7Pt17 -1.337 +46 Cu5Pt19 -0.727 +47 Cu8Pt16 -1.517 +48 Cu8Pt16 -1.630 +49 Cu18Pt6 -0.971 +50 Cu14Pt10 -1.833 +51 Cu2Pt22 -0.381 +52 Cu2Pt22 -0.545 +53 Cu21Pt3 -0.779 +54 Cu16Pt8 -1.677 +55 Cu13Pt11 -2.166 +56 Cu8Pt16 -1.539 +57 Cu18Pt6 -1.422 +58 Cu10Pt14 -1.486 +59 Cu7Pt17 -1.501 +60 Cu18Pt6 -1.428 +61 Cu22Pt2 -0.627 +62 Cu17Pt7 -1.473 +63 Cu13Pt11 -1.400 +64 Cu15Pt9 -1.757 +65 Pt24 -0.000 +66 Cu10Pt14 -1.801 +67 CuPt23 -0.336 +68 Cu10Pt14 -2.005 +69 Pt24 -0.000 +70 Cu3Pt21 -0.607 +71 Cu16Pt8 -1.424 +72 Cu11Pt13 -1.656 +73 Cu6Pt18 -1.396 +74 Cu19Pt5 -0.929 +75 Cu16Pt8 -1.504 +76 Cu17Pt7 -1.368 +77 Cu17Pt7 -1.219 +78 CuPt23 -0.336 +79 Cu11Pt13 -1.729 +80 Cu12Pt12 -1.919 +81 Cu6Pt18 -1.205 +82 Cu17Pt7 -1.547 +83 Cu9Pt15 -1.866 +84 Cu14Pt10 -1.333 +85 Cu21Pt3 -0.891 +86 Cu5Pt19 -1.232 +87 Cu22Pt2 -0.624 +88 Cu3Pt21 -0.600 +89 Cu5Pt19 -0.839 +90 Cu4Pt20 -1.061 +91 Cu12Pt12 -1.387 +92 Cu17Pt7 -1.707 +93 Cu16Pt8 -0.851 +94 Cu17Pt7 -1.586 +95 Cu9Pt15 -1.330 +96 Cu13Pt11 -1.879 +97 Cu20Pt4 -0.935 +98 Cu3Pt21 -0.707 +99 Cu18Pt6 -1.510 +100 Cu3Pt21 -0.796 +101 Cu16Pt8 -1.884 +102 Cu19Pt5 -1.052 +103 Cu17Pt7 -1.163 +104 Cu20Pt4 -1.087 +105 Cu15Pt9 -1.801 +106 Cu8Pt16 -1.882 +107 Cu7Pt17 -1.429 +108 CuPt23 -0.224 +109 Cu3Pt21 -0.896 +110 Cu15Pt9 -1.412 +111 CuPt23 -0.224 +112 Cu5Pt19 -0.736 +113 Cu6Pt18 -1.372 +114 Cu9Pt15 -1.781 +115 Cu19Pt5 -1.358 +116 Cu14Pt10 -1.404 +117 Cu7Pt17 -1.244 +118 Cu8Pt16 -1.607 +119 Cu21Pt3 -0.848 +120 Cu20Pt4 -1.223 +121 Cu8Pt16 -1.523 +122 Cu12Pt12 -1.644 +123 Cu3Pt21 -0.765 +124 Cu10Pt14 -1.988 +125 Cu13Pt11 -1.897 +126 Cu8Pt16 -1.547 +127 Cu8Pt16 -1.615 +128 Cu13Pt11 -1.724 +129 Cu5Pt19 -1.254 +130 Cu18Pt6 -1.314 +131 Cu8Pt16 -1.752 +132 Cu16Pt8 -1.254 +133 Cu13Pt11 -2.114 +134 Cu13Pt11 -2.030 +135 Cu5Pt19 -0.890 +136 Cu6Pt18 -1.419 +137 Cu7Pt17 -1.184 +138 Cu14Pt10 -1.704 +139 Cu18Pt6 -1.529 +140 Cu4Pt20 -0.988 +141 Cu20Pt4 -0.863 +142 Cu7Pt17 -1.528 +143 Cu18Pt6 -1.664 +144 Cu7Pt17 -1.651 +145 Cu3Pt21 -0.809 +146 Cu9Pt15 -1.710 +147 Cu15Pt9 -1.823 +148 Cu2Pt22 -0.577 +149 Cu16Pt8 -1.846 +150 Cu4Pt20 -1.039 +151 Cu12Pt12 -1.225 +152 Cu8Pt16 -0.902 +153 Cu11Pt13 -1.705 +154 Cu15Pt9 -1.572 +155 Cu9Pt15 -1.743 +156 Cu13Pt11 -1.428 +157 Cu8Pt16 -1.585 +158 Cu21Pt3 -0.910 +159 Cu5Pt19 -1.306 +160 Cu15Pt9 -1.880 +161 Cu15Pt9 -1.828 +162 Cu10Pt14 -1.533 +163 Cu9Pt15 -1.517 +164 Cu4Pt20 -1.061 +165 Cu18Pt6 -1.251 +166 Cu10Pt14 -1.404 +167 Cu20Pt4 -1.104 +168 Cu13Pt11 -1.705 +169 Cu14Pt10 -1.653 +170 Cu14Pt10 -1.568 +171 Cu2Pt22 -0.501 +172 Cu3Pt21 -0.659 +173 Cu18Pt6 -1.387 +174 Cu14Pt10 -1.832 +175 Cu4Pt20 -1.049 +176 Cu13Pt11 -1.744 +177 Cu11Pt13 -1.041 +178 Cu15Pt9 -1.465 +179 Cu7Pt17 -1.577 +180 Cu18Pt6 -1.414 +181 Cu16Pt8 -1.609 +182 Cu22Pt2 -0.689 +183 Cu12Pt12 -1.879 +184 Cu10Pt14 -1.525 +185 Cu8Pt16 -1.530 +186 Cu19Pt5 -1.443 +187 Cu5Pt19 -1.079 +188 Cu21Pt3 -0.901 +189 Cu12Pt12 -1.911 +190 Cu17Pt7 -1.377 +191 Cu7Pt17 -1.621 +192 Cu12Pt12 -1.855 +193 Cu17Pt7 -1.283 +194 Cu17Pt7 -1.679 +195 Cu21Pt3 -0.904 +196 Cu9Pt15 -1.730 +197 Cu15Pt9 -1.465 +198 Cu22Pt2 -0.624 +199 Cu16Pt8 -1.380 +200 Cu6Pt18 -1.538 +201 Cu13Pt11 -1.899 +202 Cu13Pt11 -1.248 +203 Cu19Pt5 -1.322 +204 Cu15Pt9 -2.055 +205 Cu14Pt10 -1.863 +206 Cu5Pt19 -1.215 +207 Cu9Pt15 -1.549 +208 Cu22Pt2 -0.683 +209 Cu10Pt14 -1.956 +210 Cu2Pt22 -0.381 +211 Cu16Pt8 -1.875 +212 Cu3Pt21 -0.659 +213 Cu6Pt18 -1.405 +214 Cu5Pt19 -0.898 +215 Cu9Pt15 -1.543 +216 Cu21Pt3 -0.798 +217 Cu9Pt15 -1.734 +218 Cu17Pt7 -1.468 +219 Cu23Pt -0.309 +220 Cu2Pt22 -0.449 +221 Cu13Pt11 -1.818 +222 Cu19Pt5 -1.370 +223 Cu17Pt7 -1.380 +224 Cu17Pt7 -1.452 +225 Cu21Pt3 -0.660 +226 Cu5Pt19 -1.232 +227 Cu15Pt9 -1.541 +228 Cu23Pt -0.359 +229 Cu10Pt14 -1.586 +230 Cu4Pt20 -1.061 +231 Cu14Pt10 -1.652 +232 Cu6Pt18 -1.133 +233 Cu4Pt20 -0.882 +234 Cu20Pt4 -0.941 +235 Cu11Pt13 -1.892 +236 Cu3Pt21 -0.770 +237 Cu6Pt18 -1.371 +238 Cu13Pt11 -1.407 +239 Cu21Pt3 -0.881 +240 Cu20Pt4 -0.831 +241 Cu19Pt5 -1.455 +242 Cu16Pt8 -0.707 +243 Cu6Pt18 -1.545 +244 Cu4Pt20 -1.079 +245 Cu16Pt8 -1.927 +246 Cu3Pt21 -0.935 +247 Cu20Pt4 -1.210 +248 Cu9Pt15 -1.652 +249 Cu6Pt18 -1.355 +250 Cu13Pt11 -1.970 +251 Cu15Pt9 -1.401 +252 Cu6Pt18 -0.443 +253 Cu15Pt9 -1.565 +254 Cu13Pt11 -2.020 +255 Cu18Pt6 -1.495 +256 Cu7Pt17 -1.384 +257 Cu17Pt7 -1.480 +258 Cu10Pt14 -1.276 +259 Cu6Pt18 -1.226 +260 Cu20Pt4 -1.220 +261 Cu19Pt5 -1.477 +262 Cu13Pt11 -1.841 +263 Cu20Pt4 -1.110 +264 Cu8Pt16 -1.711 +265 Cu4Pt20 -0.956 +266 Cu2Pt22 -0.449 +267 Cu10Pt14 -1.741 +268 Cu9Pt15 -1.098 +269 Cu17Pt7 -1.230 +270 Cu14Pt10 -1.874 +271 Cu17Pt7 -1.654 +272 Cu21Pt3 -0.753 +273 Cu15Pt9 -2.074 +274 Cu16Pt8 -0.591 +275 Cu8Pt16 -1.630 +276 Cu16Pt8 -0.206 +277 Cu17Pt7 -1.329 +278 Cu14Pt10 -1.637 +279 Cu19Pt5 -1.291 +280 Cu16Pt8 -0.924 +281 Cu18Pt6 -1.418 +282 Cu7Pt17 -1.552 +283 Cu20Pt4 -1.024 +284 Cu8Pt16 -1.762 +285 Cu15Pt9 -1.831 +286 Cu13Pt11 -2.047 +287 Cu22Pt2 -0.676 +288 Cu4Pt20 -1.148 +289 Cu14Pt10 -1.627 +290 Cu9Pt15 -1.658 +291 Cu6Pt18 -1.311 +292 Cu7Pt17 -1.577 +293 Cu6Pt18 -1.422 +294 CuPt23 -0.224 +295 Cu11Pt13 -2.089 +296 Cu7Pt17 -1.744 +297 Cu8Pt16 -1.039 +298 Cu9Pt15 -1.687 +299 Cu7Pt17 -1.649 +300 Cu20Pt4 -1.106 +301 Cu20Pt4 -0.625 +302 Cu22Pt2 -0.689 +303 Cu18Pt6 -1.412 +304 CuPt23 -0.224 +305 Cu20Pt4 -1.105 +306 Cu9Pt15 -1.789 +307 Cu20Pt4 -0.875 +308 Cu2Pt22 -0.501 +309 Cu8Pt16 -1.817 +310 Cu14Pt10 -1.978 +311 Cu15Pt9 -1.625 +312 Cu19Pt5 -1.064 +313 Cu12Pt12 -1.618 +314 Cu4Pt20 -1.012 +315 Cu11Pt13 -2.092 +316 Cu8Pt16 -1.300 +317 Cu8Pt16 -0.975 +318 Cu16Pt8 -1.895 +319 Cu12Pt12 -0.605 +320 Cu15Pt9 -1.827 +321 Cu17Pt7 -1.055 +322 Cu7Pt17 -1.657 +323 Cu18Pt6 -1.306 +324 Cu16Pt8 -1.585 +325 Cu8Pt16 -1.789 +326 Cu15Pt9 -1.802 +327 Cu9Pt15 -1.834 +328 Cu12Pt12 -1.832 +329 Cu9Pt15 -1.455 +330 CuPt23 -0.336 +331 Cu13Pt11 -0.977 +332 Cu13Pt11 -1.796 +333 Cu4Pt20 -0.869 +334 Cu16Pt8 -1.373 +335 Cu18Pt6 -1.234 +336 Cu14Pt10 -1.093 +337 Cu13Pt11 -1.860 +338 Cu8Pt16 -1.670 +339 Cu13Pt11 -1.626 +340 Cu18Pt6 -1.307 +341 Cu13Pt11 -1.975 +342 Cu17Pt7 -1.692 +343 Cu14Pt10 -1.785 +344 Cu16Pt8 -1.583 +345 Cu10Pt14 -1.871 +346 Cu11Pt13 -1.753 +347 Cu15Pt9 -2.169 +348 Cu6Pt18 -1.467 +349 Cu8Pt16 -1.910 +350 Cu11Pt13 -1.232 +351 Cu17Pt7 -1.711 +352 Cu3Pt21 -0.734 +353 Cu17Pt7 -1.602 +354 Cu10Pt14 -1.926 +355 Cu10Pt14 -1.671 +356 Cu19Pt5 -1.377 +357 Cu23Pt -0.309 +358 Cu13Pt11 -2.066 +359 Cu12Pt12 -0.762 +360 Cu21Pt3 -0.898 +361 Cu20Pt4 -1.110 +362 Cu5Pt19 -1.076 +363 Cu4Pt20 -1.092 +364 Cu16Pt8 -0.693 +365 Cu19Pt5 -1.477 +366 Cu11Pt13 -1.725 +367 Cu18Pt6 -1.431 +368 Cu4Pt20 -1.107 +369 Cu14Pt10 -2.077 +370 Cu8Pt16 -1.790 +371 Cu8Pt16 -1.813 +372 Cu9Pt15 -1.996 +373 Cu7Pt17 -1.551 +374 Cu21Pt3 -1.060 +375 Cu8Pt16 -1.403 +376 Cu4Pt20 -0.960 +377 Cu7Pt17 -1.744 +378 Cu5Pt19 -1.295 +379 Cu2Pt22 -0.381 +380 CuPt23 -0.336 +381 Cu4Pt20 -1.030 +382 Cu8Pt16 -1.906 +383 Cu3Pt21 -0.663 +384 Cu23Pt -0.309 +385 Cu2Pt22 -0.570 +386 Cu7Pt17 -1.495 +387 Cu16Pt8 -1.793 +388 Cu8Pt16 -1.834 +389 Cu18Pt6 -1.478 +390 Cu16Pt8 -1.706 +391 Cu19Pt5 -1.324 +392 Cu6Pt18 -1.476 +393 Cu15Pt9 -1.727 +394 Cu9Pt15 -2.032 +395 Cu14Pt10 -2.021 +396 Cu16Pt8 -1.829 +397 Cu5Pt19 -1.452 +398 Cu6Pt18 -1.540 +399 Cu22Pt2 -0.676 +400 Cu5Pt19 -1.200 +401 Cu17Pt7 -0.827 +402 Cu23Pt -0.359 +403 Cu12Pt12 -1.258 +404 Cu10Pt14 -2.017 +405 Cu16Pt8 -1.831 +406 Cu13Pt11 -1.350 +407 Cu23Pt -0.309 +408 CuPt23 -0.336 +409 Cu13Pt11 -1.342 +410 Cu23Pt -0.359 +411 Cu10Pt14 -1.571 +412 Cu11Pt13 -1.649 +413 Cu11Pt13 -1.940 +414 Cu6Pt18 -1.538 +415 Cu16Pt8 -1.826 +416 Cu22Pt2 -0.624 +417 Cu14Pt10 -1.844 +418 Cu11Pt13 -1.952 +419 Cu5Pt19 -1.099 +420 Cu5Pt19 -1.208 +421 Cu11Pt13 -1.186 +422 CuPt23 -0.336 +423 Cu20Pt4 -1.208 +424 Cu2Pt22 -0.709 +425 Cu4Pt20 -0.757 +426 Cu16Pt8 -1.054 +427 Cu5Pt19 -1.159 +428 Cu7Pt17 -1.126 +429 Cu20Pt4 -0.989 +430 Cu14Pt10 -2.022 +431 Cu7Pt17 -1.094 +432 Cu18Pt6 -1.500 +433 Cu6Pt18 -1.120 +434 CuPt23 -0.224 +435 Cu8Pt16 -1.612 +436 Cu7Pt17 -1.460 +437 Cu21Pt3 -0.977 +438 Cu8Pt16 -1.910 +439 Cu15Pt9 -1.952 +440 Cu15Pt9 -1.794 +441 Cu11Pt13 -1.827 +442 Cu2Pt22 -0.509 +443 CuPt23 -0.224 +444 Cu10Pt14 -1.705 +445 Cu14Pt10 -1.849 +446 Cu18Pt6 -1.394 +447 Cu22Pt2 -0.753 +448 Cu16Pt8 -0.716 +449 Cu17Pt7 -1.665 +450 Cu5Pt19 -1.305 +451 Cu15Pt9 -2.043 +452 Cu6Pt18 -1.106 +453 Cu16Pt8 -1.920 +454 Cu2Pt22 -0.577 +455 Cu9Pt15 -1.930 +456 Cu6Pt18 -1.371 +457 Cu3Pt21 -0.948 +458 Cu16Pt8 -1.170 +459 Cu2Pt22 -0.449 +460 Cu21Pt3 -0.993 +461 Cu10Pt14 -1.479 +462 Cu8Pt16 -1.584 +463 Cu18Pt6 -1.428 +464 Cu9Pt15 -1.617 +465 Cu6Pt18 -1.515 +466 Cu9Pt15 -1.687 +467 Cu11Pt13 -1.951 +468 Cu8Pt16 -1.845 +469 Cu16Pt8 -1.881 +470 Cu3Pt21 -0.950 +471 Cu17Pt7 -1.740 +472 Cu22Pt2 -0.689 +473 Cu3Pt21 -0.729 +474 Cu20Pt4 -0.840 +475 Cu22Pt2 -0.676 +476 Cu11Pt13 -2.095 +477 Cu13Pt11 -0.850 +478 Cu11Pt13 -1.929 +479 Cu3Pt21 -0.896 +480 Cu10Pt14 -1.264 +481 Cu22Pt2 -0.683 +482 Cu11Pt13 -1.841 +483 Cu8Pt16 -1.878 +484 Cu12Pt12 -2.068 +485 Cu17Pt7 -1.641 +486 Cu10Pt14 -1.397 +487 Cu19Pt5 -1.374 +488 Cu20Pt4 -1.094 +489 Pt24 0.000 +490 Cu17Pt7 -1.897 +491 Cu12Pt12 -1.965 +492 Cu5Pt19 -1.134 +493 Cu10Pt14 -0.827 +494 Cu10Pt14 -1.528 +495 Cu15Pt9 -1.446 +496 Cu14Pt10 -1.927 +497 Cu13Pt11 -2.085 +498 Cu18Pt6 -1.669 +499 Cu2Pt22 -0.577 +500 Cu2Pt22 -0.709 +501 Cu12Pt12 -2.032 +502 Cu17Pt7 -1.643 +503 Cu3Pt21 -0.948 +504 Cu12Pt12 -2.029 +505 Cu7Pt17 -1.601 +506 Cu13Pt11 -1.750 +507 Cu13Pt11 -2.170 +508 Cu15Pt9 -1.976 +509 Cu10Pt14 -0.930 +510 Cu11Pt13 -2.111 +511 Cu3Pt21 -0.765 +512 Cu22Pt2 -0.753 +513 Cu17Pt7 -1.573 +514 Cu22Pt2 -0.565 +515 Cu5Pt19 -0.846 +516 Cu12Pt12 -1.914 +517 Cu4Pt20 -1.034 +518 Cu20Pt4 -1.223 +519 Cu19Pt5 -1.256 +520 Cu18Pt6 -1.545 +521 Cu21Pt3 -0.766 +522 CuPt23 -0.336 +Simplices: 11 ./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] 22:02:44 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 22:02:44 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 17:57:15 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 17:57:15 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 22:02:44 3.320051* 0.1208 -BFGSLineSearch: 1[ 1] 22:02:44 3.316117* 0.0474 +BFGSLineSearch: 0[ 0] 17:57:15 3.320051* 0.1208 +BFGSLineSearch: 1[ 1] 17:57:15 3.316117* 0.0474 Step Time Energy fmax -BFGS: 0 22:02:44 4.219952 3.5208 -BFGS: 1 22:02:44 3.937039 2.1765 -BFGS: 2 22:02:44 3.719814 0.4351 -BFGS: 3 22:02:45 3.709652 0.2301 -BFGS: 4 22:02:45 3.708879 0.2441 -BFGS: 5 22:02:46 3.706088 0.2577 -BFGS: 6 22:02:46 3.698532 0.2134 -BFGS: 7 22:02:46 3.692121 0.2462 -BFGS: 8 22:02:47 3.692274 0.1873 -BFGS: 9 22:02:47 3.693484 0.1727 -BFGS: 10 22:02:47 3.692659 0.1514 -BFGS: 11 22:02:48 3.690809 0.0736 -BFGS: 12 22:02:48 3.690202 0.0708 -BFGS: 13 22:02:48 3.690382 0.0782 -BFGS: 14 22:02:49 3.690426 0.1034 -BFGS: 15 22:02:49 3.689890 0.0998 -BFGS: 16 22:02:49 3.689029 0.0543 -BFGS: 17 22:02:49 3.688737 0.0289 +BFGS: 0 17:57:16 4.219952 3.5208 +BFGS: 1 17:57:16 3.937039 2.1765 +BFGS: 2 17:57:16 3.719814 0.4351 +BFGS: 3 17:57:16 3.709652 0.2301 +BFGS: 4 17:57:17 3.708879 0.2441 +BFGS: 5 17:57:17 3.706088 0.2577 +BFGS: 6 17:57:17 3.698532 0.2134 +BFGS: 7 17:57:17 3.692121 0.2462 +BFGS: 8 17:57:17 3.692274 0.1873 +BFGS: 9 17:57:18 3.693484 0.1727 +BFGS: 10 17:57:18 3.692659 0.1514 +BFGS: 11 17:57:18 3.690809 0.0736 +BFGS: 12 17:57:19 3.690202 0.0708 +BFGS: 13 17:57:19 3.690382 0.0782 +BFGS: 14 17:57:19 3.690426 0.1034 +BFGS: 15 17:57:19 3.689890 0.0998 +BFGS: 16 17:57:19 3.689029 0.0543 +BFGS: 17 17:57:20 3.688737 0.0289 Step Time Energy fmax -BFGS: 0 22:02:49 3.688737 0.0289 -BFGS: 1 22:02:50 3.688734 0.0265 -BFGS: 2 22:02:50 3.688730 0.0240 -BFGS: 3 22:02:50 3.688729 0.0239 -BFGS: 4 22:02:51 3.688718 0.0122 -BFGS: 5 22:02:51 3.688718 0.0086 -BFGS: 6 22:02:51 3.688718 0.0095 -BFGS: 7 22:02:51 3.688718 0.0097 -BFGS: 8 22:02:52 3.688716 0.0097 -BFGS: 9 22:02:52 3.688714 0.0087 -BFGS: 10 22:02:52 3.688714 0.0062 -BFGS: 11 22:02:53 3.688714 0.0053 -BFGS: 12 22:02:53 3.688714 0.0053 -BFGS: 13 22:02:53 3.688714 0.0066 -BFGS: 14 22:02:54 3.688715 0.0088 -BFGS: 15 22:02:54 3.688723 0.0109 -BFGS: 16 22:02:54 3.688733 0.0157 -BFGS: 17 22:02:54 3.688732 0.0153 -BFGS: 18 22:02:55 3.688722 0.0100 -BFGS: 19 22:02:55 3.688716 0.0050 -BFGS: 20 22:02:55 3.688716 0.0034 +BFGS: 0 17:57:20 3.688737 0.0289 +BFGS: 1 17:57:20 3.688734 0.0265 +BFGS: 2 17:57:20 3.688730 0.0240 +BFGS: 3 17:57:20 3.688729 0.0239 +BFGS: 4 17:57:21 3.688718 0.0122 +BFGS: 5 17:57:21 3.688718 0.0086 +BFGS: 6 17:57:21 3.688718 0.0095 +BFGS: 7 17:57:21 3.688718 0.0097 +BFGS: 8 17:57:22 3.688716 0.0097 +BFGS: 9 17:57:22 3.688714 0.0087 +BFGS: 10 17:57:22 3.688714 0.0062 +BFGS: 11 17:57:22 3.688714 0.0053 +BFGS: 12 17:57:22 3.688714 0.0053 +BFGS: 13 17:57:23 3.688714 0.0066 +BFGS: 14 17:57:23 3.688715 0.0088 +BFGS: 15 17:57:23 3.688723 0.0109 +BFGS: 16 17:57:23 3.688733 0.0157 +BFGS: 17 17:57:23 3.688732 0.0153 +BFGS: 18 17:57:23 3.688722 0.0100 +BFGS: 19 17:57:24 3.688716 0.0050 +BFGS: 20 17:57:24 3.688716 0.0034 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -9207,10 +9239,10 @@ WARNING: extlinks: Sphinx-6.0 will require a caption string to contain exactly one '%s' and all other '%' need to be escaped as '%%'. loading intersphinx inventory from https://wiki.fysik.dtu.dk/gpaw/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/3.9/objects.inv... WARNING: failed to reach any of the inventories with the following issues: -intersphinx inventory 'https://docs.python.org/3.9/objects.inv' not fetchable due to : HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3.9/objects.inv (Caused by NewConnectionError(': Failed to establish a new connection: [Errno -3] Temporary failure in name resolution')) +intersphinx inventory 'https://docs.python.org/3.9/objects.inv' not fetchable due to : HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3.9/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 @@ -10038,11 +10070,11 @@ 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/fr/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/fi/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/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/da/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/da/LC_MESSAGES/ag.mo + Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild @@ -10060,12 +10092,14 @@ 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/1736219/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1736219/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/2701691 and its subdirectories -I: Current time: Sat Feb 8 22:04:36 -12 2025 -I: pbuilder-time-stamp: 1739095476 +I: removing directory /srv/workspace/pbuilder/1736219 and its subdirectories +I: Current time: Mon Jan 8 17:59:06 +14 2024 +I: pbuilder-time-stamp: 1704686346