Diff of the two buildlogs: -- --- b1/build.log 2024-01-11 18:17:17.386445252 +0000 +++ b2/build.log 2024-01-11 19:22:53.243156487 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Wed Feb 12 12:22:52 -12 2025 -I: pbuilder-time-stamp: 1739406172 +I: Current time: Fri Jan 12 08:17:20 +14 2024 +I: pbuilder-time-stamp: 1704997040 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/865704/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/57165/tmp/hooks/D01_modify_environment starting +debug: Running on ionos11-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Jan 11 18:17 /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/57165/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/57165/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=16 ' - DISTRIBUTION='bookworm' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="15" [3]="1" [4]="release" [5]="x86_64-pc-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=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15 ' + DIRSTACK=() + DISTRIBUTION=bookworm + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='cc14e5b9fd5d4cb7a798a329c5fe22b6' - 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='865704' - PS1='# ' - PS2='> ' + INVOCATION_ID=fb1bca9c92c540cc86744e6f3a2a7920 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=57165 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.iWrKBK9M/pbuilderrc_i3nb --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.iWrKBK9M/b1 --logfile b1/build.log python-ase_3.22.1-3.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://85.184.249.68:3128' + 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.iWrKBK9M/pbuilderrc_YS26 --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.iWrKBK9M/b2 --logfile b2/build.log python-ase_3.22.1-3.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://78.137.99.97:3128 I: uname -a - Linux ionos5-amd64 6.5.0-0.deb12.4-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.5.10-1~bpo12+1 (2023-11-23) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-17-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.69-1 (2023-12-30) x86_64 GNU/Linux I: ls -l /bin total 5632 -rwxr-xr-x 1 root root 1265648 Apr 23 2023 bash @@ -137,15 +169,15 @@ -rwxr-xr-x 1 root root 52112 Sep 20 2022 readlink -rwxr-xr-x 1 root root 72752 Sep 20 2022 rm -rwxr-xr-x 1 root root 56240 Sep 20 2022 rmdir - -rwxr-xr-x 1 root root 27560 Jul 28 2023 run-parts + -rwxr-xr-x 1 root root 27560 Jul 28 23:46 run-parts -rwxr-xr-x 1 root root 126424 Jan 5 2023 sed - lrwxrwxrwx 1 root root 4 Jan 5 2023 sh -> dash + lrwxrwxrwx 1 root root 9 Jan 11 18:17 sh -> /bin/bash -rwxr-xr-x 1 root root 43888 Sep 20 2022 sleep -rwxr-xr-x 1 root root 85008 Sep 20 2022 stty -rwsr-xr-x 1 root root 72000 Mar 23 2023 su -rwxr-xr-x 1 root root 39824 Sep 20 2022 sync -rwxr-xr-x 1 root root 531984 Apr 6 2023 tar - -rwxr-xr-x 1 root root 14520 Jul 28 2023 tempfile + -rwxr-xr-x 1 root root 14520 Jul 28 23:46 tempfile -rwxr-xr-x 1 root root 109616 Sep 20 2022 touch -rwxr-xr-x 1 root root 35664 Sep 20 2022 true -rwxr-xr-x 1 root root 14568 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/865704/tmp/hooks/D02_print_environment finished +I: user script /srv/workspace/pbuilder/57165/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -485,7 +517,7 @@ Get: 246 http://deb.debian.org/debian bookworm/main amd64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 247 http://deb.debian.org/debian bookworm/main amd64 texlive-base all 2022.20230122-3 [21.9 MB] Get: 248 http://deb.debian.org/debian bookworm/main amd64 texlive-latex-base all 2022.20230122-3 [1182 kB] -Fetched 187 MB in 2s (83.7 MB/s) +Fetched 187 MB in 9s (20.4 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 ... 18148 files and directories currently installed.) @@ -1280,8 +1312,8 @@ Setting up tzdata (2023c-5+deb12u1) ... Current default time zone: 'Etc/UTC' -Local time is now: Thu Feb 13 00:23:34 UTC 2025. -Universal Time is now: Thu Feb 13 00:23:34 UTC 2025. +Local time is now: Thu Jan 11 18:19:37 UTC 2024. +Universal Time is now: Thu Jan 11 18:19:37 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.0.0-1) ... @@ -1537,7 +1569,11 @@ 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/57165/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for bookworm +I: user script /srv/workspace/pbuilder/57165/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 @@ -4741,9 +4777,9 @@ :241 :241: RuntimeWarning: numpy.ndarray size changed, may indicate binary incompatibility. Expected 16 from C header, got 96 from PyObject -calculator/abinit/test_main.py::test_si[abinit1] - /usr/lib/python3/dist-packages/_pytest/main.py:430: ResourceWarning: unclosed file <_io.FileIO name='/dev/null' mode='wb' closefd=True> - x = self.pm.subset_hook_caller(name, remove_plugins=self.remove_mods) +calculator/abinit/test_main.py::test_au[abinit-fhi] + :2: ResourceWarning: unclosed file <_io.FileIO name='/dev/null' mode='wb' closefd=True> + _setattr = _cached_setattr_get(self) Enable tracemalloc to get traceback where the object was allocated. See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. @@ -4760,7 +4796,7 @@ 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, 2 xfailed, 2 xpassed, 4 warnings in 391.73s (0:06:31) = += 1652 passed, 299 skipped, 2 xfailed, 2 xpassed, 4 warnings in 2158.29s (0:35:58) = make[1]: Leaving directory '/build/reproducible-path/python-ase-3.22.1' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild @@ -4889,18 +4925,18 @@ 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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__ @@ -5465,8 +5501,8 @@ 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__/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__/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__/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__/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__/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__/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__ @@ -8074,68 +8110,68 @@ 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-vd0cu8xe 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-8x_28d_a 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 12:33:22 11.881544 5.0770 -PreconLBFGS: 1 12:33:22 9.721479 3.9439 -PreconLBFGS: 2 12:33:23 8.763736 4.8036 -PreconLBFGS: 3 12:33:23 7.844821 3.7443 -PreconLBFGS: 4 12:33:23 6.983034 4.0077 -PreconLBFGS: 5 12:33:24 6.241838 3.4906 -PreconLBFGS: 6 12:33:24 5.431719 3.4055 -PreconLBFGS: 7 12:33:24 4.618000 3.0392 -PreconLBFGS: 8 12:33:25 3.870055 2.6555 -PreconLBFGS: 9 12:33:25 3.227248 2.3331 -PreconLBFGS: 10 12:33:25 2.530719 2.0596 -PreconLBFGS: 11 12:33:25 2.033757 1.7769 -PreconLBFGS: 12 12:33:26 1.512731 1.4761 -PreconLBFGS: 13 12:33:26 1.149587 1.1205 -PreconLBFGS: 14 12:33:27 0.914239 0.8209 -PreconLBFGS: 15 12:33:27 0.788020 0.5450 -PreconLBFGS: 16 12:33:27 0.714341 0.3851 -PreconLBFGS: 17 12:33:28 0.674602 0.2785 -PreconLBFGS: 18 12:33:28 0.652484 0.2171 -PreconLBFGS: 19 12:33:29 0.643906 0.1797 -PreconLBFGS: 20 12:33:30 0.640309 0.1501 -PreconLBFGS: 21 12:33:30 0.638003 0.1324 -PreconLBFGS: 22 12:33:31 0.636776 0.1094 -PreconLBFGS: 23 12:33:32 0.635986 0.0850 -PreconLBFGS: 24 12:33:32 0.635433 0.0522 -PreconLBFGS: 25 12:33:32 0.634973 0.0305 -PreconLBFGS: 26 12:33:33 0.634716 0.0193 -PreconLBFGS: 27 12:33:33 0.634592 0.0132 -PreconLBFGS: 28 12:33:34 0.634522 0.0112 -PreconLBFGS: 29 12:33:35 0.634486 0.0089 -PreconLBFGS: 30 12:33:35 0.634470 0.0083 -PreconLBFGS: 31 12:33:36 0.634462 0.0072 -PreconLBFGS: 32 12:33:36 0.634456 0.0050 -PreconLBFGS: 33 12:33:37 0.634452 0.0030 -PreconLBFGS: 34 12:33:37 0.634449 0.0017 -PreconLBFGS: 35 12:33:38 0.634448 0.0013 -PreconLBFGS: 36 12:33:38 0.634447 0.0009 -PreconLBFGS: 0 12:33:39 11.881544 5.0770 -PreconLBFGS: 1 12:33:39 9.794004 4.0022 -PreconLBFGS: 2 12:33:40 7.255200 3.4746 -PreconLBFGS: 3 12:33:40 5.540273 2.7637 -PreconLBFGS: 4 12:33:40 4.030393 2.2824 -PreconLBFGS: 5 12:33:41 2.861759 1.7993 -PreconLBFGS: 6 12:33:41 1.960588 1.3805 -PreconLBFGS: 7 12:33:41 1.319087 0.9972 -PreconLBFGS: 8 12:33:42 0.913600 0.6490 -PreconLBFGS: 9 12:33:42 0.661975 0.1417 -PreconLBFGS: 10 12:33:42 0.649358 0.0762 -PreconLBFGS: 11 12:33:43 0.637452 0.0305 -PreconLBFGS: 12 12:33:43 0.636014 0.0233 -PreconLBFGS: 13 12:33:43 0.635005 0.0150 -PreconLBFGS: 14 12:33:44 0.634698 0.0076 -PreconLBFGS: 15 12:33:44 0.634546 0.0033 -PreconLBFGS: 16 12:33:44 0.634482 0.0026 -PreconLBFGS: 17 12:33:45 0.634461 0.0020 -PreconLBFGS: 18 12:33:45 0.634453 0.0012 -PreconLBFGS: 19 12:33:45 0.634449 0.0009 +PreconLBFGS: 0 09:03:31 11.881544 5.0770 +PreconLBFGS: 1 09:03:34 9.721479 3.9439 +PreconLBFGS: 2 09:03:37 8.763736 4.8036 +PreconLBFGS: 3 09:03:40 7.844821 3.7443 +PreconLBFGS: 4 09:03:43 6.983034 4.0077 +PreconLBFGS: 5 09:03:47 6.241838 3.4906 +PreconLBFGS: 6 09:03:50 5.431719 3.4055 +PreconLBFGS: 7 09:03:53 4.618000 3.0392 +PreconLBFGS: 8 09:03:56 3.870055 2.6555 +PreconLBFGS: 9 09:03:58 3.227248 2.3331 +PreconLBFGS: 10 09:04:00 2.530719 2.0596 +PreconLBFGS: 11 09:04:02 2.033757 1.7769 +PreconLBFGS: 12 09:04:04 1.512731 1.4761 +PreconLBFGS: 13 09:04:06 1.149587 1.1205 +PreconLBFGS: 14 09:04:08 0.914239 0.8209 +PreconLBFGS: 15 09:04:09 0.788020 0.5450 +PreconLBFGS: 16 09:04:11 0.714341 0.3851 +PreconLBFGS: 17 09:04:15 0.674602 0.2785 +PreconLBFGS: 18 09:04:18 0.652484 0.2171 +PreconLBFGS: 19 09:04:21 0.643906 0.1797 +PreconLBFGS: 20 09:04:23 0.640309 0.1501 +PreconLBFGS: 21 09:04:25 0.638003 0.1324 +PreconLBFGS: 22 09:04:27 0.636776 0.1094 +PreconLBFGS: 23 09:04:29 0.635986 0.0850 +PreconLBFGS: 24 09:04:31 0.635433 0.0522 +PreconLBFGS: 25 09:04:32 0.634973 0.0305 +PreconLBFGS: 26 09:04:34 0.634716 0.0193 +PreconLBFGS: 27 09:04:36 0.634592 0.0132 +PreconLBFGS: 28 09:04:37 0.634522 0.0112 +PreconLBFGS: 29 09:04:38 0.634486 0.0089 +PreconLBFGS: 30 09:04:40 0.634470 0.0083 +PreconLBFGS: 31 09:04:41 0.634462 0.0072 +PreconLBFGS: 32 09:04:42 0.634456 0.0050 +PreconLBFGS: 33 09:04:43 0.634452 0.0030 +PreconLBFGS: 34 09:04:44 0.634449 0.0017 +PreconLBFGS: 35 09:04:45 0.634448 0.0013 +PreconLBFGS: 36 09:04:47 0.634447 0.0009 +PreconLBFGS: 0 09:04:48 11.881544 5.0770 +PreconLBFGS: 1 09:04:50 9.794004 4.0022 +PreconLBFGS: 2 09:04:51 7.255200 3.4746 +PreconLBFGS: 3 09:04:52 5.540273 2.7637 +PreconLBFGS: 4 09:04:53 4.030393 2.2824 +PreconLBFGS: 5 09:04:53 2.861759 1.7993 +PreconLBFGS: 6 09:04:54 1.960588 1.3805 +PreconLBFGS: 7 09:04:55 1.319087 0.9972 +PreconLBFGS: 8 09:04:57 0.913600 0.6490 +PreconLBFGS: 9 09:04:59 0.661975 0.1417 +PreconLBFGS: 10 09:05:01 0.649358 0.0762 +PreconLBFGS: 11 09:05:03 0.637452 0.0305 +PreconLBFGS: 12 09:05:06 0.636014 0.0233 +PreconLBFGS: 13 09:05:08 0.635005 0.0150 +PreconLBFGS: 14 09:05:10 0.634698 0.0076 +PreconLBFGS: 15 09:05:12 0.634546 0.0033 +PreconLBFGS: 16 09:05:14 0.634482 0.0026 +PreconLBFGS: 17 09:05:17 0.634461 0.0020 +PreconLBFGS: 18 09:05:19 0.634453 0.0012 +PreconLBFGS: 19 09:05:21 0.634449 0.0009 ./doc/ase precon.png running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png @@ -8258,23 +8294,23 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 12:34:12 1.419426 9.8029 -BFGS: 1 12:34:12 2.139894 7.9322 -BFGS: 2 12:34:12 1.280719 4.9902 -BFGS: 3 12:34:12 2.298637 21.4603 -BFGS: 4 12:34:12 1.122419 2.7684 -BFGS: 5 12:34:12 1.081517 1.3439 -BFGS: 6 12:34:12 1.070848 0.2363 -BFGS: 7 12:34:12 1.070543 0.0157 -BFGS: 8 12:34:12 1.070541 0.0002 +BFGS: 0 09:06:35 1.419426 9.8029 +BFGS: 1 09:06:35 2.139894 7.9322 +BFGS: 2 09:06:35 1.280719 4.9902 +BFGS: 3 09:06:35 2.298637 21.4603 +BFGS: 4 09:06:35 1.122419 2.7684 +BFGS: 5 09:06:35 1.081517 1.3439 +BFGS: 6 09:06:35 1.070848 0.2363 +BFGS: 7 09:06:35 1.070543 0.0157 +BFGS: 8 09:06:35 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 : 9b0cdf2c4241bf108622b8c7959d959f -ctime : 25.119960096485993 -mtime : 25.119960096485993 -user : pbuilder1 +unique_id : b9f11edd35d14ec66507e7da7dcabb50 +ctime : 24.02967258703378 +mtime : 24.02967258703378 +user : pbuilder2 numbers : [1 1] positions : [[ 1.03506658e-20 3.41111245e-19 -3.95240142e-02] [-2.04084324e-18 -1.71015769e-20 7.39524014e-01]] @@ -8429,9 +8465,9 @@ running: ./doc/gettingstarted/surface.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:20 11.689927* 1.0797 -BFGSLineSearch: 1[ 2] 12:36:20 11.670814* 0.4090 -BFGSLineSearch: 2[ 4] 12:36:20 11.625880* 0.0409 +BFGSLineSearch: 0[ 0] 09:13:32 11.689927* 1.0797 +BFGSLineSearch: 1[ 2] 09:13:33 11.670814* 0.4090 +BFGSLineSearch: 2[ 4] 09:13:33 11.625880* 0.0409 Adsorption energy: 0.323519422318034 ./doc/gettingstarted surface.png running: ./doc/gettingstarted/manipulating_atoms/manipulating_atoms.py @@ -8449,92 +8485,92 @@ True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:22 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 12:36:22 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 12:36:22 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 12:36:22 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 09:13:37 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 09:13:38 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 09:13:38 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 09:13:38 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:22 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 12:36:22 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 12:36:22 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 12:36:22 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 09:13:38 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 09:13:38 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 09:13:38 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 09:13:38 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 12:36:23 4.969997 1.0132 -MDMin: 1 12:36:23 4.922173 0.8526 -MDMin: 2 12:36:23 4.833353 0.4715 -MDMin: 3 12:36:23 4.783147 0.1445 -MDMin: 4 12:36:23 4.762840 0.1083 -MDMin: 5 12:36:24 4.748802 0.1243 -MDMin: 6 12:36:24 4.738339 0.1125 -MDMin: 7 12:36:24 4.734398 0.1373 -MDMin: 8 12:36:24 4.733206 0.1291 -MDMin: 9 12:36:24 4.730681 0.1066 -MDMin: 10 12:36:24 4.728545 0.0796 -MDMin: 11 12:36:25 4.726697 0.0670 -MDMin: 12 12:36:25 4.724795 0.0553 -MDMin: 13 12:36:25 4.723081 0.0394 +MDMin: 0 09:13:40 4.969997 1.0132 +MDMin: 1 09:13:40 4.922173 0.8526 +MDMin: 2 09:13:41 4.833353 0.4715 +MDMin: 3 09:13:42 4.783147 0.1445 +MDMin: 4 09:13:43 4.762840 0.1083 +MDMin: 5 09:13:43 4.748802 0.1243 +MDMin: 6 09:13:44 4.738339 0.1125 +MDMin: 7 09:13:44 4.734398 0.1373 +MDMin: 8 09:13:45 4.733206 0.1291 +MDMin: 9 09:13:46 4.730681 0.1066 +MDMin: 10 09:13:46 4.728545 0.0796 +MDMin: 11 09:13:47 4.726697 0.0670 +MDMin: 12 09:13:48 4.724795 0.0553 +MDMin: 13 09:13:48 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] 12:36:25 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 12:36:25 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 12:36:25 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 12:36:25 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 09:13:48 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 09:13:48 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 09:13:49 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 09:13:49 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:25 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 12:36:25 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 12:36:25 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 12:36:25 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 09:13:49 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 09:13:49 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 09:13:49 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 09:13:49 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 12:36:26 7.907337 7.4468 -MDMin: 1 12:36:26 6.168331 3.6842 -MDMin: 2 12:36:26 5.447472 1.0574 -MDMin: 3 12:36:26 5.396259 0.8197 -MDMin: 4 12:36:26 5.309107 0.5214 -MDMin: 5 12:36:27 5.249202 0.4171 -MDMin: 6 12:36:27 5.211870 0.1746 -MDMin: 7 12:36:27 5.193370 0.2491 -MDMin: 8 12:36:27 5.186767 0.1250 -MDMin: 9 12:36:27 5.184593 0.0800 -MDMin: 10 12:36:27 5.182310 0.0874 -MDMin: 11 12:36:28 5.179945 0.0682 -MDMin: 12 12:36:28 5.177732 0.0547 -MDMin: 13 12:36:28 5.175962 0.0309 +MDMin: 0 09:13:50 7.907337 7.4468 +MDMin: 1 09:13:50 6.168331 3.6842 +MDMin: 2 09:13:51 5.447472 1.0574 +MDMin: 3 09:13:51 5.396259 0.8197 +MDMin: 4 09:13:52 5.309107 0.5214 +MDMin: 5 09:13:53 5.249202 0.4171 +MDMin: 6 09:13:53 5.211870 0.1746 +MDMin: 7 09:13:54 5.193370 0.2491 +MDMin: 8 09:13:54 5.186767 0.1250 +MDMin: 9 09:13:54 5.184593 0.0800 +MDMin: 10 09:13:55 5.182310 0.0874 +MDMin: 11 09:13:55 5.179945 0.0682 +MDMin: 12 09:13:56 5.177732 0.0547 +MDMin: 13 09:13:56 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] 12:36:28 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 12:36:28 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 12:36:28 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 12:36:28 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 09:13:56 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 09:13:56 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 09:13:57 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 09:13:57 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:28 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 12:36:28 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 12:36:28 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 12:36:28 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 09:13:57 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 09:13:57 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 09:13:57 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 09:13:57 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 12:36:29 5.433815 1.1528 -MDMin: 1 12:36:29 5.352153 1.0378 -MDMin: 2 12:36:29 5.179224 0.7749 -MDMin: 3 12:36:29 5.033743 0.4672 -MDMin: 4 12:36:29 4.952170 0.2689 -MDMin: 5 12:36:30 4.905035 0.1593 -MDMin: 6 12:36:30 4.877860 0.1282 -MDMin: 7 12:36:30 4.868891 0.1395 -MDMin: 8 12:36:30 4.868163 0.1307 -MDMin: 9 12:36:30 4.866419 0.1103 -MDMin: 10 12:36:30 4.864367 0.0944 -MDMin: 11 12:36:31 4.862194 0.0893 -MDMin: 12 12:36:31 4.859895 0.0854 -MDMin: 13 12:36:31 4.857565 0.0801 -MDMin: 14 12:36:31 4.855300 0.0720 -MDMin: 15 12:36:31 4.853137 0.0588 -MDMin: 16 12:36:32 4.851083 0.0461 +MDMin: 0 09:13:58 5.433815 1.1528 +MDMin: 1 09:13:58 5.352153 1.0378 +MDMin: 2 09:13:59 5.179224 0.7749 +MDMin: 3 09:13:59 5.033743 0.4672 +MDMin: 4 09:14:00 4.952170 0.2689 +MDMin: 5 09:14:00 4.905035 0.1593 +MDMin: 6 09:14:01 4.877860 0.1282 +MDMin: 7 09:14:01 4.868891 0.1395 +MDMin: 8 09:14:02 4.868163 0.1307 +MDMin: 9 09:14:03 4.866419 0.1103 +MDMin: 10 09:14:03 4.864367 0.0944 +MDMin: 11 09:14:04 4.862194 0.0893 +MDMin: 12 09:14:04 4.859895 0.0854 +MDMin: 13 09:14:05 4.857565 0.0801 +MDMin: 14 09:14:05 4.855300 0.0720 +MDMin: 15 09:14:05 4.853137 0.0588 +MDMin: 16 09:14:06 4.851083 0.0461 ./doc/tutorials test.txt running: ./doc/tutorials/saving_graphics.py ./doc/tutorials nice.png @@ -8543,38 +8579,38 @@ running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:34 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 12:36:34 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 09:14:11 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 09:14:11 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:34 3.730166* 1.6460 -BFGSLineSearch: 1[ 2] 12:36:34 3.546230* 0.2605 -BFGSLineSearch: 2[ 4] 12:36:34 3.513795* 0.1080 -BFGSLineSearch: 3[ 6] 12:36:34 3.502279* 0.0500 +BFGSLineSearch: 0[ 0] 09:14:11 3.730166* 1.6460 +BFGSLineSearch: 1[ 2] 09:14:12 3.546230* 0.2605 +BFGSLineSearch: 2[ 4] 09:14:12 3.513795* 0.1080 +BFGSLineSearch: 3[ 6] 09:14:12 3.502279* 0.0500 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:34 3.764262* 1.0444 -BFGSLineSearch: 1[ 2] 12:36:34 3.708446* 0.1203 -BFGSLineSearch: 2[ 4] 12:36:34 3.695835* 0.0668 -BFGSLineSearch: 3[ 6] 12:36:34 3.691660* 0.0618 -BFGSLineSearch: 4[ 7] 12:36:34 3.690089* 0.0300 +BFGSLineSearch: 0[ 0] 09:14:12 3.764262* 1.0444 +BFGSLineSearch: 1[ 2] 09:14:12 3.708446* 0.1203 +BFGSLineSearch: 2[ 4] 09:14:12 3.695835* 0.0668 +BFGSLineSearch: 3[ 6] 09:14:12 3.691660* 0.0618 +BFGSLineSearch: 4[ 7] 09:14:12 3.690089* 0.0300 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:34 3.580034* 0.6521 -BFGSLineSearch: 1[ 1] 12:36:34 3.544894* 0.1627 -BFGSLineSearch: 2[ 3] 12:36:34 3.516850* 0.1946 -BFGSLineSearch: 3[ 4] 12:36:34 3.508545* 0.1325 -BFGSLineSearch: 4[ 5] 12:36:35 3.503316* 0.1022 -BFGSLineSearch: 5[ 6] 12:36:35 3.500392* 0.0550 -BFGSLineSearch: 6[ 8] 12:36:35 3.499584* 0.0392 +BFGSLineSearch: 0[ 0] 09:14:13 3.580034* 0.6521 +BFGSLineSearch: 1[ 1] 09:14:13 3.544894* 0.1627 +BFGSLineSearch: 2[ 3] 09:14:13 3.516850* 0.1946 +BFGSLineSearch: 3[ 4] 09:14:13 3.508545* 0.1325 +BFGSLineSearch: 4[ 5] 09:14:13 3.503316* 0.1022 +BFGSLineSearch: 5[ 6] 09:14:13 3.500392* 0.0550 +BFGSLineSearch: 6[ 8] 09:14:13 3.499584* 0.0392 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:36:35 3.463634* 0.5332 -BFGSLineSearch: 1[ 2] 12:36:35 3.356702* 0.4028 -BFGSLineSearch: 2[ 3] 12:36:35 3.333298* 0.1536 -BFGSLineSearch: 3[ 4] 12:36:35 3.322604* 0.1003 -BFGSLineSearch: 4[ 5] 12:36:35 3.318477* 0.0658 -BFGSLineSearch: 5[ 6] 12:36:35 3.316534* 0.0483 +BFGSLineSearch: 0[ 0] 09:14:13 3.463634* 0.5332 +BFGSLineSearch: 1[ 2] 09:14:13 3.356702* 0.4028 +BFGSLineSearch: 2[ 3] 09:14:13 3.333298* 0.1536 +BFGSLineSearch: 3[ 4] 09:14:13 3.322604* 0.1003 +BFGSLineSearch: 4[ 5] 09:14:13 3.318477* 0.0658 +BFGSLineSearch: 5[ 6] 09:14:13 3.316534* 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -8619,586 +8655,585 @@ Creating and evaluating generation 9 Creating and evaluating generation 10 Species: Cu, Pt -References: 525 +References: 524 0 Cu24 -0.000 1 Pt24 -0.000 -2 Cu8Pt16 -1.376 -3 CuPt23 -0.224 -4 Cu4Pt20 -0.753 -5 Cu5Pt19 -1.119 -6 Cu20Pt4 -0.939 -7 Cu2Pt22 -0.509 -8 Cu7Pt17 -1.443 -9 Cu6Pt18 -0.934 -10 Cu16Pt8 -1.851 -11 Cu17Pt7 -1.391 -12 Cu4Pt20 -0.793 -13 Cu18Pt6 -1.685 -14 Cu5Pt19 -0.784 -15 Cu23Pt -0.309 -16 Cu2Pt22 -0.623 -17 Cu5Pt19 -1.279 -18 Cu15Pt9 -1.489 -19 Cu18Pt6 -1.650 -20 Cu11Pt13 -1.886 -21 Cu3Pt21 -0.794 -22 Cu6Pt18 -1.301 -23 Cu10Pt14 -1.802 -24 Cu15Pt9 -1.620 -25 Cu13Pt11 -1.749 -26 Cu5Pt19 -0.941 -27 Cu21Pt3 -0.978 -28 Cu12Pt12 -1.590 -29 Cu20Pt4 -0.661 -30 Cu16Pt8 -1.449 -31 Cu17Pt7 -1.399 -32 Cu23Pt -0.309 -33 Cu3Pt21 -0.693 -34 Cu6Pt18 -1.394 -35 Cu6Pt18 -1.091 -36 Cu15Pt9 -1.507 -37 Cu21Pt3 -0.891 -38 Cu23Pt -0.309 -39 Cu5Pt19 -1.077 -40 Cu7Pt17 -1.589 -41 Cu17Pt7 -1.839 -42 Cu3Pt21 -0.735 -43 Cu12Pt12 -1.720 -44 Cu9Pt15 -1.955 -45 Cu13Pt11 -1.573 -46 Cu21Pt3 -0.852 -47 Cu8Pt16 -1.670 -48 Cu19Pt5 -1.372 -49 Cu10Pt14 -1.377 -50 Cu13Pt11 -1.508 -51 Cu7Pt17 -1.328 -52 Cu8Pt16 -1.169 -53 Cu14Pt10 -1.967 -54 Cu12Pt12 -1.525 -55 Cu15Pt9 -1.788 -56 Cu22Pt2 -0.629 -57 Cu4Pt20 -0.917 -58 Cu19Pt5 -1.536 -59 Cu9Pt15 -1.741 -60 Cu5Pt19 -0.724 -61 Cu4Pt20 -0.840 -62 Cu6Pt18 -1.305 -63 Cu22Pt2 -0.560 -64 Cu8Pt16 -1.659 -65 Cu18Pt6 -0.989 -66 Cu8Pt16 -1.598 -67 Cu5Pt19 -0.912 -68 Cu10Pt14 -1.449 -69 Cu11Pt13 -1.553 -70 Cu9Pt15 -1.341 -71 Cu14Pt10 -1.824 -72 Cu13Pt11 -1.694 -73 Cu10Pt14 -1.533 -74 Cu8Pt16 -1.422 -75 Cu15Pt9 -1.601 -76 Cu5Pt19 -1.196 -77 Cu22Pt2 -0.612 -78 Cu2Pt22 -0.431 -79 Cu10Pt14 -1.305 -80 Cu11Pt13 -1.285 -81 Cu6Pt18 -1.257 -82 Cu16Pt8 -1.613 -83 Cu14Pt10 -1.530 -84 Cu5Pt19 -1.161 -85 Cu19Pt5 -1.411 -86 Cu23Pt -0.309 -87 Cu10Pt14 -1.465 -88 Cu8Pt16 -1.507 -89 Cu4Pt20 -0.958 -90 Cu19Pt5 -1.471 -91 Cu8Pt16 -1.376 -92 Cu7Pt17 -1.554 -93 CuPt23 -0.224 -94 Cu2Pt22 -0.509 -95 Cu13Pt11 -1.874 -96 Cu10Pt14 -1.743 -97 Cu19Pt5 -1.411 -98 Cu8Pt16 -1.476 -99 Cu21Pt3 -0.935 -100 Cu14Pt10 -1.481 -101 Cu14Pt10 -1.149 -102 CuPt23 -0.336 -103 Cu5Pt19 -1.362 -104 Cu12Pt12 -0.970 -105 Cu9Pt15 -1.599 -106 CuPt23 -0.336 -107 Cu9Pt15 -1.510 -108 Cu7Pt17 -1.286 -109 Cu17Pt7 -0.943 -110 CuPt23 -0.336 -111 Cu8Pt16 -1.615 -112 Cu3Pt21 -0.896 -113 Cu7Pt17 -1.545 -114 Cu10Pt14 -1.928 -115 Cu12Pt12 -1.598 -116 Cu17Pt7 -1.354 -117 Cu11Pt13 -1.309 -118 Cu15Pt9 -1.420 -119 Cu14Pt10 -1.501 -120 Cu12Pt12 -1.835 -121 Cu8Pt16 -1.084 -122 Cu13Pt11 -1.953 -123 Cu15Pt9 -1.821 -124 Cu3Pt21 -0.872 -125 Cu18Pt6 -1.005 -126 Cu23Pt -0.359 -127 Cu17Pt7 -1.512 -128 Cu14Pt10 -1.170 -129 Cu16Pt8 -1.472 -130 Cu11Pt13 -1.895 -131 Cu21Pt3 -1.060 -132 Cu10Pt14 -1.448 -133 Cu15Pt9 -1.049 -134 Cu16Pt8 -1.426 -135 Cu13Pt11 -1.596 -136 Cu4Pt20 -1.092 -137 Cu13Pt11 -1.782 -138 Cu17Pt7 -0.948 -139 Cu11Pt13 -1.466 -140 Cu12Pt12 -1.809 -141 Cu8Pt16 -1.309 -142 Cu12Pt12 -1.739 -143 Cu6Pt18 -1.496 -144 Cu4Pt20 -0.933 -145 Cu19Pt5 -1.318 -146 Cu21Pt3 -1.020 -147 Cu21Pt3 -0.847 -148 Cu17Pt7 -1.448 -149 Cu10Pt14 -1.818 -150 Cu14Pt10 -1.368 -151 Cu8Pt16 -1.571 -152 Cu18Pt6 -1.623 -153 Cu2Pt22 -0.709 -154 Cu5Pt19 -1.357 -155 Cu5Pt19 -1.300 -156 Cu14Pt10 -1.391 -157 Cu19Pt5 -1.407 -158 Cu13Pt11 -1.665 -159 Cu4Pt20 -0.830 -160 Cu15Pt9 -1.645 -161 Cu14Pt10 -1.653 -162 Cu23Pt -0.309 -163 Cu22Pt2 -0.676 -164 Cu22Pt2 -0.625 -165 Cu9Pt15 -1.638 -166 Cu17Pt7 -1.733 -167 Cu15Pt9 -1.532 -168 Cu17Pt7 -1.711 -169 Cu4Pt20 -1.025 -170 Cu6Pt18 -1.322 -171 Cu15Pt9 -1.676 -172 Cu20Pt4 -0.786 -173 Cu8Pt16 -1.286 -174 Cu8Pt16 -1.487 -175 Cu20Pt4 -1.365 -176 Cu21Pt3 -0.935 -177 Cu18Pt6 -1.685 -178 Cu2Pt22 -0.577 -179 Cu14Pt10 -2.073 -180 Cu19Pt5 -1.501 -181 Cu13Pt11 -0.445 -182 Cu18Pt6 -1.134 -183 Cu15Pt9 -1.575 -184 Cu14Pt10 -1.839 -185 Cu4Pt20 -0.924 -186 Cu16Pt8 -1.581 -187 Cu24 -0.000 -188 Cu13Pt11 -1.691 -189 Cu9Pt15 -1.713 -190 Cu10Pt14 -1.885 -191 Cu7Pt17 -1.702 -192 Cu6Pt18 -1.354 -193 Cu5Pt19 -1.270 -194 Cu5Pt19 -1.251 -195 Cu23Pt -0.359 -196 Cu19Pt5 -1.361 -197 Cu12Pt12 -1.728 -198 Cu7Pt17 -1.393 -199 Cu10Pt14 -1.041 -200 Cu17Pt7 -1.340 -201 Cu11Pt13 -0.964 -202 Cu9Pt15 -1.853 -203 Cu3Pt21 -0.814 -204 Cu7Pt17 -1.528 -205 Cu3Pt21 -0.791 -206 Cu15Pt9 -1.826 -207 Cu10Pt14 -1.590 -208 Cu19Pt5 -1.478 -209 Cu19Pt5 -1.479 -210 Cu14Pt10 -1.581 -211 Cu22Pt2 -0.629 -212 Cu17Pt7 -1.433 -213 Cu17Pt7 -1.384 -214 Cu17Pt7 -1.384 -215 Cu20Pt4 -0.915 -216 Cu8Pt16 -1.728 -217 Cu14Pt10 -1.972 -218 Cu3Pt21 -0.663 -219 Cu10Pt14 -1.710 -220 Cu4Pt20 -1.033 -221 Cu6Pt18 -1.177 -222 Cu8Pt16 -1.671 -223 Cu21Pt3 -1.021 -224 Cu4Pt20 -0.989 -225 Cu11Pt13 -1.915 -226 Cu11Pt13 -1.479 -227 Cu13Pt11 -2.031 -228 Cu17Pt7 -1.630 -229 Cu12Pt12 -1.361 -230 Cu8Pt16 -1.328 -231 Cu13Pt11 -1.880 -232 Cu14Pt10 -1.883 -233 Cu15Pt9 -1.697 -234 Cu11Pt13 -1.824 -235 Cu10Pt14 -1.913 -236 Cu5Pt19 -1.317 -237 Cu4Pt20 -1.132 -238 Cu13Pt11 -1.726 -239 Cu15Pt9 -1.885 -240 Cu11Pt13 -1.946 -241 Cu21Pt3 -0.903 -242 Cu23Pt -0.309 -243 Cu9Pt15 -1.819 -244 Cu16Pt8 -1.984 -245 Cu20Pt4 -0.988 -246 Cu4Pt20 -1.144 -247 Cu3Pt21 -0.814 -248 Cu16Pt8 -1.605 -249 Cu2Pt22 -0.623 -250 Cu9Pt15 -1.683 -251 Cu4Pt20 -1.063 -252 Cu23Pt -0.309 -253 Cu19Pt5 -1.238 -254 Cu13Pt11 -1.521 -255 Cu8Pt16 -1.644 -256 Cu4Pt20 -1.025 -257 Cu6Pt18 -1.131 -258 Cu17Pt7 -1.754 -259 Cu3Pt21 -0.896 -260 CuPt23 -0.224 -261 Cu11Pt13 -1.602 -262 CuPt23 -0.224 -263 Cu12Pt12 -1.368 -264 Cu11Pt13 -1.738 -265 Cu7Pt17 -0.955 -266 Cu12Pt12 -1.838 -267 Cu16Pt8 -1.915 -268 Cu20Pt4 -1.072 -269 Cu2Pt22 -0.623 -270 Cu17Pt7 -1.533 -271 Cu11Pt13 -1.850 -272 Cu19Pt5 -1.397 -273 Cu11Pt13 -1.312 -274 Cu2Pt22 -0.711 -275 Cu21Pt3 -0.933 -276 Cu7Pt17 -1.522 -277 Cu11Pt13 -1.636 -278 Cu10Pt14 -1.581 -279 Cu18Pt6 -1.703 -280 Cu10Pt14 -1.951 -281 Cu12Pt12 -1.043 -282 Cu4Pt20 -1.108 -283 Cu11Pt13 -1.971 -284 Cu14Pt10 -0.842 -285 Cu7Pt17 -1.563 -286 Cu8Pt16 -0.766 -287 Cu17Pt7 -1.236 -288 Cu4Pt20 -0.791 -289 Cu20Pt4 -0.871 -290 Cu22Pt2 -0.683 -291 Cu2Pt22 -0.623 -292 Cu9Pt15 -1.793 -293 Cu20Pt4 -1.290 -294 Cu23Pt -0.359 -295 Cu3Pt21 -0.659 -296 Cu11Pt13 -1.796 -297 Cu8Pt16 -1.638 -298 Cu12Pt12 -1.873 -299 Cu20Pt4 -1.165 -300 Cu8Pt16 -1.512 -301 Cu9Pt15 -1.799 -302 Cu8Pt16 -1.561 -303 Cu14Pt10 -1.729 -304 Cu7Pt17 -1.295 -305 Cu10Pt14 -1.711 -306 Cu16Pt8 -1.817 -307 Cu5Pt19 -1.264 -308 Cu3Pt21 -0.607 -309 Cu15Pt9 -1.924 -310 Cu14Pt10 -1.760 -311 Cu4Pt20 -1.116 -312 Cu11Pt13 -1.662 -313 Cu8Pt16 -1.681 -314 Cu12Pt12 -0.725 -315 Cu15Pt9 -1.687 -316 Cu10Pt14 -0.534 -317 Cu9Pt15 -1.814 -318 Cu9Pt15 -1.676 -319 Cu19Pt5 -1.152 -320 Cu14Pt10 -1.905 -321 Cu13Pt11 -2.156 -322 Cu20Pt4 -1.068 -323 Cu16Pt8 -1.915 -324 Cu15Pt9 -1.848 -325 Cu11Pt13 -2.055 -326 Cu5Pt19 -1.246 -327 Cu17Pt7 -1.282 -328 Cu20Pt4 -1.182 -329 Cu10Pt14 -1.320 -330 CuPt23 -0.224 -331 Cu4Pt20 -0.981 -332 Cu5Pt19 -1.194 -333 CuPt23 -0.336 -334 Cu18Pt6 -0.711 -335 Cu5Pt19 -1.053 -336 Cu14Pt10 -1.171 -337 Cu22Pt2 -0.689 -338 Cu13Pt11 -1.953 -339 Cu10Pt14 -1.894 -340 Cu5Pt19 -1.279 -341 Cu16Pt8 -1.858 -342 Cu8Pt16 -1.543 -343 Cu11Pt13 -1.318 -344 Cu3Pt21 -0.660 -345 Cu23Pt -0.309 -346 Cu10Pt14 -2.050 -347 Cu10Pt14 -1.860 -348 Cu13Pt11 -1.837 -349 Cu18Pt6 -1.384 -350 Cu15Pt9 -1.352 -351 Cu7Pt17 -1.546 -352 Cu17Pt7 -1.591 -353 Cu9Pt15 -1.785 -354 Cu14Pt10 -1.313 -355 Cu8Pt16 -1.522 -356 Cu16Pt8 -1.590 -357 CuPt23 -0.224 -358 Cu3Pt21 -0.738 -359 Cu15Pt9 -1.734 -360 Cu16Pt8 -1.906 -361 Cu8Pt16 -1.170 -362 Cu11Pt13 -1.797 -363 Cu4Pt20 -0.976 -364 Cu11Pt13 -2.055 -365 Cu21Pt3 -1.056 -366 Cu21Pt3 -1.005 -367 Cu17Pt7 -1.653 -368 Cu15Pt9 -1.841 -369 Cu6Pt18 -1.333 -370 Cu8Pt16 -1.602 -371 Cu19Pt5 -1.149 -372 Cu10Pt14 -1.792 -373 Cu16Pt8 -1.772 -374 Cu23Pt -0.309 -375 Cu17Pt7 -1.268 -376 Cu14Pt10 -2.030 -377 Cu6Pt18 -1.101 -378 Cu13Pt11 -1.705 -379 Cu21Pt3 -0.744 -380 Cu6Pt18 -1.450 -381 Cu21Pt3 -0.883 -382 Cu11Pt13 -1.912 -383 Cu10Pt14 -1.960 -384 Cu11Pt13 -1.913 -385 Cu13Pt11 -1.672 -386 Cu19Pt5 -1.504 -387 Cu5Pt19 -1.085 -388 Cu9Pt15 -1.607 -389 Cu19Pt5 -1.501 -390 CuPt23 -0.336 -391 Cu11Pt13 -1.678 -392 Cu9Pt15 -1.955 -393 Cu10Pt14 -2.148 -394 Cu11Pt13 -1.957 -395 Cu6Pt18 -1.461 -396 Cu16Pt8 -1.873 -397 Cu10Pt14 -2.026 -398 CuPt23 -0.336 -399 CuPt23 -0.336 -400 Cu12Pt12 -1.952 -401 Cu5Pt19 -1.277 -402 Cu9Pt15 -1.604 -403 CuPt23 -0.336 -404 Cu15Pt9 -1.644 -405 Cu2Pt22 -0.623 -406 Cu2Pt22 -0.623 -407 Cu10Pt14 -2.047 -408 Cu16Pt8 -1.750 -409 CuPt23 -0.336 -410 Cu10Pt14 -2.077 -411 Cu14Pt10 -1.902 -412 Cu5Pt19 -1.318 -413 Cu15Pt9 -2.002 -414 Cu11Pt13 -2.067 -415 CuPt23 -0.336 -416 Cu5Pt19 -1.235 -417 Cu5Pt19 -1.351 -418 Cu8Pt16 -1.733 -419 Cu18Pt6 -1.497 -420 CuPt23 -0.224 -421 Cu16Pt8 -1.775 -422 Cu5Pt19 -1.195 -423 Cu10Pt14 -0.545 -424 Cu22Pt2 -0.521 -425 Cu7Pt17 -1.714 -426 Cu13Pt11 -2.042 -427 Cu22Pt2 -0.560 -428 Cu6Pt18 -1.318 -429 Cu10Pt14 -1.711 -430 Cu16Pt8 -1.922 -431 Cu8Pt16 -1.602 -432 Cu7Pt17 -1.501 -433 Cu15Pt9 -1.922 -434 Cu6Pt18 -1.236 -435 Cu17Pt7 -1.630 -436 Cu7Pt17 -1.423 -437 Cu15Pt9 -1.587 -438 Cu17Pt7 -1.561 -439 Cu14Pt10 -2.038 -440 Cu22Pt2 -0.565 -441 Cu6Pt18 -1.547 -442 Cu10Pt14 -0.625 -443 Cu20Pt4 -1.193 -444 Cu9Pt15 -1.708 -445 Cu16Pt8 -1.763 -446 Cu16Pt8 -1.574 -447 Cu6Pt18 -1.461 -448 Cu8Pt16 -1.374 -449 Cu23Pt -0.359 -450 Cu18Pt6 -1.291 -451 Cu6Pt18 -1.383 -452 Cu3Pt21 -0.876 -453 Cu2Pt22 -0.577 -454 Cu11Pt13 -1.431 -455 Cu14Pt10 -1.847 -456 Cu5Pt19 -1.259 -457 Cu17Pt7 -1.763 -458 Cu6Pt18 -1.461 -459 Cu9Pt15 -1.691 -460 Cu14Pt10 -1.864 -461 Cu15Pt9 -2.051 -462 Cu10Pt14 -1.780 -463 Cu5Pt19 -1.208 -464 Cu15Pt9 -1.961 -465 Cu3Pt21 -0.693 -466 Cu6Pt18 -1.550 -467 Cu5Pt19 -1.266 -468 CuPt23 -0.336 -469 Cu16Pt8 -0.999 -470 Cu22Pt2 -0.409 -471 Cu7Pt17 -0.300 -472 Cu8Pt16 -1.752 -473 Cu12Pt12 -2.135 -474 Cu4Pt20 -1.191 -475 Cu13Pt11 -0.976 -476 Cu12Pt12 -1.452 -477 Cu9Pt15 -1.667 -478 Cu8Pt16 -1.809 -479 Cu4Pt20 -0.591 -480 Cu18Pt6 -1.243 -481 Cu10Pt14 -1.974 -482 Cu16Pt8 -1.764 -483 Cu6Pt18 -1.106 -484 Cu18Pt6 -1.673 -485 Cu14Pt10 -1.923 -486 Cu12Pt12 -1.635 -487 Cu4Pt20 -1.129 -488 Cu7Pt17 -1.615 -489 Cu10Pt14 -1.721 -490 Cu9Pt15 -1.924 -491 Cu15Pt9 -1.189 -492 Cu6Pt18 -1.493 -493 Cu8Pt16 -1.717 -494 Cu2Pt22 -0.711 -495 Cu15Pt9 -1.867 -496 Cu10Pt14 -2.050 -497 Cu19Pt5 -1.510 -498 Cu21Pt3 -0.852 -499 Cu9Pt15 -1.887 -500 Cu4Pt20 -0.995 -501 Cu2Pt22 -0.501 -502 Cu7Pt17 -1.683 -503 Cu5Pt19 -1.227 -504 Cu12Pt12 -1.889 -505 Cu7Pt17 -1.454 -506 Cu16Pt8 -1.902 -507 Cu17Pt7 -1.265 -508 Cu14Pt10 -1.753 -509 Cu14Pt10 -1.879 -510 Cu21Pt3 -0.936 -511 Cu14Pt10 -1.923 -512 Cu3Pt21 -0.605 -513 Cu8Pt16 -1.221 -514 Cu10Pt14 -1.853 -515 Cu9Pt15 -1.958 -516 Cu17Pt7 -0.601 -517 Cu11Pt13 -1.922 -518 Cu11Pt13 -1.856 -519 Cu20Pt4 -1.292 -520 Cu2Pt22 -0.711 -521 Cu9Pt15 -1.984 -522 Cu8Pt16 -1.209 -523 Cu19Pt5 -1.018 -524 Cu16Pt8 -1.583 -Simplices: 14 +2 Cu5Pt19 -0.898 +3 Cu23Pt -0.359 +4 Cu19Pt5 -0.986 +5 Cu23Pt -0.309 +6 Cu6Pt18 -1.202 +7 Cu10Pt14 -1.532 +8 Cu3Pt21 -0.684 +9 Cu17Pt7 -1.361 +10 Cu14Pt10 -1.947 +11 Cu12Pt12 -1.279 +12 Cu7Pt17 -1.309 +13 Cu9Pt15 -1.651 +14 Cu14Pt10 -1.363 +15 Cu8Pt16 -1.622 +16 Cu21Pt3 -0.732 +17 Cu16Pt8 -1.708 +18 Cu20Pt4 -0.935 +19 Cu2Pt22 -0.577 +20 Cu20Pt4 -1.290 +21 Cu16Pt8 -1.726 +22 Cu9Pt15 -1.291 +23 Cu4Pt20 -0.878 +24 Cu16Pt8 -1.719 +25 Cu7Pt17 -1.663 +26 Cu12Pt12 -1.648 +27 Cu14Pt10 -1.535 +28 Cu17Pt7 -0.964 +29 Cu17Pt7 -1.228 +30 Cu23Pt -0.309 +31 Cu15Pt9 -1.809 +32 Cu12Pt12 -1.859 +33 Cu7Pt17 -1.343 +34 Cu8Pt16 -1.450 +35 Cu5Pt19 -0.848 +36 Cu22Pt2 -0.657 +37 Cu11Pt13 -1.919 +38 Cu11Pt13 -1.805 +39 Cu13Pt11 -1.823 +40 Cu5Pt19 -1.166 +41 Cu3Pt21 -0.791 +42 Cu3Pt21 -0.599 +43 Cu10Pt14 -1.632 +44 Cu6Pt18 -1.478 +45 Cu6Pt18 -0.980 +46 Cu9Pt15 -1.851 +47 Cu11Pt13 -1.991 +48 Cu3Pt21 -0.781 +49 Cu18Pt6 -1.245 +50 Cu12Pt12 -1.781 +51 Cu20Pt4 -1.222 +52 Cu7Pt17 -1.384 +53 Cu7Pt17 -1.371 +54 Cu20Pt4 -1.136 +55 Cu20Pt4 -1.034 +56 Cu22Pt2 -0.689 +57 Cu2Pt22 -0.577 +58 Cu12Pt12 -1.910 +59 Cu14Pt10 -1.313 +60 Cu15Pt9 -1.154 +61 Cu9Pt15 -1.751 +62 Cu11Pt13 -1.842 +63 Cu16Pt8 -1.378 +64 Cu5Pt19 -1.237 +65 Cu9Pt15 -1.815 +66 Cu19Pt5 -1.437 +67 Cu21Pt3 -0.668 +68 Cu9Pt15 -1.105 +69 Cu12Pt12 -1.622 +70 Cu11Pt13 -1.857 +71 CuPt23 -0.224 +72 Cu3Pt21 -0.523 +73 Cu22Pt2 -0.689 +74 Cu2Pt22 -0.541 +75 Cu8Pt16 -1.754 +76 Cu12Pt12 -0.779 +77 Cu11Pt13 -1.271 +78 Cu16Pt8 -0.871 +79 Cu4Pt20 -0.589 +80 Cu8Pt16 -1.430 +81 Cu17Pt7 -1.575 +82 Cu15Pt9 -1.861 +83 Cu5Pt19 -0.966 +84 Cu6Pt18 -0.972 +85 Cu10Pt14 -0.904 +86 Cu19Pt5 -1.373 +87 Cu11Pt13 -1.704 +88 Cu4Pt20 -1.135 +89 Cu7Pt17 -1.539 +90 Cu17Pt7 -1.458 +91 Cu7Pt17 -1.270 +92 Cu4Pt20 -0.968 +93 Cu6Pt18 -1.430 +94 Cu22Pt2 -0.560 +95 CuPt23 -0.224 +96 Cu4Pt20 -0.872 +97 Cu3Pt21 -0.781 +98 Cu21Pt3 -0.512 +99 Cu17Pt7 -1.539 +100 Cu8Pt16 -1.694 +101 Cu14Pt10 -1.737 +102 Cu7Pt17 -0.810 +103 Cu4Pt20 -1.138 +104 Cu7Pt17 -1.623 +105 Cu14Pt10 -2.001 +106 Cu4Pt20 -1.049 +107 Cu15Pt9 -1.249 +108 Cu22Pt2 -0.560 +109 Cu14Pt10 -1.820 +110 Cu5Pt19 -1.264 +111 Cu19Pt5 -1.411 +112 Cu20Pt4 -0.922 +113 Cu12Pt12 -2.116 +114 Cu9Pt15 -1.733 +115 Cu23Pt -0.309 +116 Cu14Pt10 -1.783 +117 Cu5Pt19 -0.654 +118 Cu14Pt10 -1.824 +119 Cu16Pt8 -1.405 +120 Cu19Pt5 -1.340 +121 Cu19Pt5 -1.049 +122 Cu13Pt11 -1.330 +123 Cu14Pt10 -1.766 +124 Cu10Pt14 -1.660 +125 Cu6Pt18 -1.302 +126 Cu22Pt2 -0.560 +127 Cu7Pt17 -1.735 +128 Cu13Pt11 -1.615 +129 Cu7Pt17 -1.524 +130 Cu11Pt13 -0.789 +131 Cu14Pt10 -1.915 +132 Cu18Pt6 -1.001 +133 CuPt23 -0.224 +134 Cu12Pt12 -2.063 +135 Cu21Pt3 -0.919 +136 Cu4Pt20 -0.589 +137 Cu14Pt10 -2.023 +138 Cu15Pt9 -0.400 +139 Cu20Pt4 -1.165 +140 Cu16Pt8 -1.658 +141 CuPt23 -0.336 +142 Cu6Pt18 -1.476 +143 Cu4Pt20 -0.872 +144 Cu6Pt18 -1.286 +145 Cu6Pt18 -1.426 +146 Cu23Pt -0.309 +147 Cu17Pt7 -1.571 +148 Cu17Pt7 -1.773 +149 Cu9Pt15 -1.763 +150 Cu15Pt9 -1.209 +151 Cu8Pt16 -1.688 +152 Cu11Pt13 -1.534 +153 Cu7Pt17 -1.683 +154 Cu4Pt20 -1.079 +155 Cu21Pt3 -0.881 +156 Cu7Pt17 -1.753 +157 Cu4Pt20 -1.138 +158 Cu13Pt11 -1.630 +159 Cu23Pt -0.359 +160 Cu6Pt18 -1.407 +161 CuPt23 -0.224 +162 Cu15Pt9 -1.449 +163 Cu19Pt5 -0.904 +164 Cu7Pt17 -1.264 +165 Cu10Pt14 -1.610 +166 Cu5Pt19 -1.107 +167 Cu13Pt11 -1.873 +168 Cu22Pt2 -0.689 +169 Cu4Pt20 -0.938 +170 Cu18Pt6 -1.446 +171 Cu14Pt10 -1.966 +172 Cu19Pt5 -1.286 +173 Cu23Pt -0.309 +174 Cu17Pt7 -1.676 +175 Cu17Pt7 -1.829 +176 Cu14Pt10 -2.023 +177 Cu22Pt2 -0.627 +178 Cu16Pt8 -1.898 +179 Cu19Pt5 -1.105 +180 Cu14Pt10 -1.612 +181 Cu15Pt9 -1.219 +182 Cu19Pt5 -1.321 +183 Cu9Pt15 -1.596 +184 Cu2Pt22 -0.381 +185 Cu18Pt6 -1.487 +186 Cu15Pt9 -1.707 +187 Cu19Pt5 -1.326 +188 Cu6Pt18 -1.213 +189 Cu5Pt19 -1.344 +190 Cu7Pt17 -1.372 +191 Cu21Pt3 -0.751 +192 Cu23Pt -0.359 +193 Cu13Pt11 -1.963 +194 Cu22Pt2 -0.565 +195 Cu8Pt16 -1.427 +196 Cu7Pt17 -1.771 +197 Cu8Pt16 -0.745 +198 Cu14Pt10 -1.471 +199 Cu11Pt13 -1.659 +200 Cu18Pt6 -1.645 +201 Cu13Pt11 -2.093 +202 Cu15Pt9 -1.836 +203 Cu10Pt14 -1.737 +204 Cu9Pt15 -0.280 +205 Cu14Pt10 -1.695 +206 Cu11Pt13 -1.916 +207 Cu6Pt18 -1.537 +208 Cu10Pt14 -1.620 +209 Cu13Pt11 -1.611 +210 Cu11Pt13 -1.571 +211 Cu22Pt2 -0.599 +212 Cu15Pt9 -1.876 +213 Cu8Pt16 -1.241 +214 Cu6Pt18 -1.267 +215 Cu6Pt18 -1.351 +216 Cu21Pt3 -0.798 +217 Cu16Pt8 -1.985 +218 Cu19Pt5 -1.350 +219 Cu18Pt6 -1.403 +220 Cu7Pt17 -1.669 +221 Cu13Pt11 -1.249 +222 Cu4Pt20 -0.856 +223 Cu16Pt8 -1.718 +224 Cu8Pt16 -1.417 +225 Cu15Pt9 -1.392 +226 Cu9Pt15 -1.978 +227 Cu7Pt17 -0.613 +228 Cu10Pt14 -1.864 +229 Cu8Pt16 -1.222 +230 Cu4Pt20 -0.773 +231 Cu12Pt12 -0.483 +232 Cu2Pt22 -0.501 +233 Cu2Pt22 -0.577 +234 Cu9Pt15 -1.692 +235 Cu23Pt -0.359 +236 Cu16Pt8 -1.651 +237 Cu16Pt8 -1.765 +238 Cu22Pt2 -0.565 +239 Cu8Pt16 -1.843 +240 Cu16Pt8 -1.673 +241 Cu10Pt14 -1.577 +242 Cu4Pt20 -0.855 +243 Cu7Pt17 -1.669 +244 Cu12Pt12 -1.195 +245 Cu7Pt17 -1.688 +246 Cu19Pt5 -1.297 +247 Cu12Pt12 -1.471 +248 Cu4Pt20 -0.952 +249 Cu20Pt4 -1.228 +250 Cu23Pt -0.359 +251 Cu14Pt10 -2.120 +252 Cu15Pt9 -1.881 +253 Cu20Pt4 -1.225 +254 Cu20Pt4 -1.099 +255 Cu15Pt9 -1.700 +256 Cu16Pt8 -1.952 +257 Cu12Pt12 -1.644 +258 Cu9Pt15 -1.721 +259 Cu3Pt21 -0.791 +260 Cu20Pt4 -0.644 +261 Cu7Pt17 -1.360 +262 Cu16Pt8 -0.716 +263 Cu18Pt6 -1.724 +264 Cu4Pt20 -0.989 +265 Cu13Pt11 -2.085 +266 Cu10Pt14 -1.501 +267 Cu5Pt19 -1.056 +268 Cu19Pt5 -1.451 +269 Cu15Pt9 -1.805 +270 Cu18Pt6 -1.481 +271 Cu22Pt2 -0.657 +272 Cu15Pt9 -1.534 +273 Cu10Pt14 -1.863 +274 Cu7Pt17 -1.497 +275 Cu9Pt15 -1.918 +276 CuPt23 -0.224 +277 Cu16Pt8 -1.499 +278 Cu3Pt21 -0.660 +279 Cu8Pt16 -1.682 +280 Cu11Pt13 -1.205 +281 Cu6Pt18 -1.511 +282 Cu10Pt14 -1.817 +283 Cu12Pt12 -1.938 +284 Cu6Pt18 -1.373 +285 CuPt23 -0.224 +286 Cu20Pt4 -1.236 +287 Cu21Pt3 -0.891 +288 Cu3Pt21 -0.791 +289 Cu21Pt3 -0.933 +290 Cu7Pt17 -1.753 +291 Cu8Pt16 -1.735 +292 Cu16Pt8 -1.563 +293 Cu22Pt2 -0.657 +294 CuPt23 -0.224 +295 Cu12Pt12 -2.198 +296 Cu4Pt20 -1.138 +297 Cu22Pt2 -0.629 +298 Cu17Pt7 -1.842 +299 Cu13Pt11 -1.610 +300 Cu3Pt21 -0.876 +301 Cu19Pt5 -1.321 +302 Cu15Pt9 -1.817 +303 Cu12Pt12 -1.366 +304 Cu10Pt14 -2.002 +305 Cu23Pt -0.309 +306 Cu13Pt11 -2.031 +307 CuPt23 -0.224 +308 Cu16Pt8 -1.569 +309 Cu18Pt6 -1.564 +310 Cu8Pt16 -1.910 +311 Cu11Pt13 -2.019 +312 Cu10Pt14 -1.775 +313 Cu12Pt12 -1.791 +314 Cu3Pt21 -0.667 +315 Cu3Pt21 -0.765 +316 Cu19Pt5 -1.486 +317 Cu19Pt5 -1.478 +318 Cu16Pt8 -0.621 +319 Cu10Pt14 -2.153 +320 Cu7Pt17 -1.539 +321 Cu14Pt10 -1.900 +322 Cu4Pt20 -0.589 +323 Cu14Pt10 -1.615 +324 Cu22Pt2 -0.612 +325 Cu11Pt13 -1.884 +326 Cu19Pt5 -0.766 +327 Cu10Pt14 -1.797 +328 Cu15Pt9 -2.027 +329 Cu10Pt14 -1.870 +330 Cu5Pt19 -1.321 +331 Cu4Pt20 -0.970 +332 Cu16Pt8 -1.726 +333 Cu11Pt13 -2.053 +334 Cu15Pt9 -2.107 +335 Cu22Pt2 -0.565 +336 Cu16Pt8 -1.010 +337 Cu20Pt4 -1.141 +338 Cu3Pt21 -0.735 +339 Cu9Pt15 -1.620 +340 Cu7Pt17 -1.688 +341 Cu19Pt5 -1.149 +342 Cu10Pt14 -1.827 +343 Cu7Pt17 -1.771 +344 Cu5Pt19 -1.053 +345 Cu10Pt14 -1.826 +346 Cu12Pt12 -1.838 +347 Cu12Pt12 -2.096 +348 Cu13Pt11 -1.753 +349 Cu14Pt10 -2.095 +350 Cu15Pt9 -1.839 +351 Cu5Pt19 -1.387 +352 Cu15Pt9 -1.228 +353 Cu6Pt18 -1.170 +354 Cu10Pt14 -1.538 +355 Cu9Pt15 -0.762 +356 CuPt23 -0.224 +357 Cu8Pt16 -1.585 +358 Cu17Pt7 -1.788 +359 Cu15Pt9 -1.780 +360 Cu12Pt12 -2.141 +361 Cu10Pt14 -1.850 +362 Cu11Pt13 -1.929 +363 Cu2Pt22 -0.381 +364 Cu12Pt12 -2.128 +365 Cu19Pt5 -1.247 +366 Cu21Pt3 -0.933 +367 CuPt23 -0.224 +368 Cu13Pt11 -1.909 +369 Cu15Pt9 -1.665 +370 Cu17Pt7 -1.356 +371 Cu10Pt14 -1.890 +372 Cu22Pt2 -0.409 +373 Cu22Pt2 -0.629 +374 Cu5Pt19 -1.224 +375 Cu4Pt20 -0.589 +376 Cu7Pt17 -1.549 +377 CuPt23 -0.224 +378 Cu15Pt9 -1.748 +379 Cu12Pt12 -1.599 +380 Cu20Pt4 -1.114 +381 Cu7Pt17 -1.727 +382 Cu9Pt15 -1.093 +383 Cu20Pt4 -1.164 +384 Cu9Pt15 -1.873 +385 Cu21Pt3 -0.933 +386 Cu14Pt10 -2.009 +387 Cu11Pt13 -1.061 +388 Cu15Pt9 -1.341 +389 Cu7Pt17 -1.372 +390 Cu10Pt14 -1.653 +391 Cu15Pt9 -1.656 +392 Cu21Pt3 -0.852 +393 Cu16Pt8 -1.947 +394 Cu12Pt12 -2.016 +395 Cu23Pt -0.359 +396 Cu14Pt10 -1.748 +397 Cu15Pt9 -1.673 +398 Cu6Pt18 -1.403 +399 Cu10Pt14 -1.231 +400 Cu11Pt13 -2.085 +401 Cu14Pt10 -1.274 +402 Cu10Pt14 -1.812 +403 Cu3Pt21 -0.935 +404 Cu5Pt19 -1.400 +405 Cu20Pt4 -1.021 +406 Cu8Pt16 -1.822 +407 Cu9Pt15 -1.809 +408 Cu14Pt10 -2.161 +409 Cu11Pt13 -2.139 +410 Cu11Pt13 -1.977 +411 Cu15Pt9 -2.027 +412 Cu10Pt14 -1.650 +413 Cu19Pt5 -1.065 +414 Cu13Pt11 -1.864 +415 Cu7Pt17 -1.788 +416 Cu19Pt5 -1.275 +417 Cu10Pt14 -1.410 +418 Cu9Pt15 -1.744 +419 Cu11Pt13 -1.895 +420 Cu4Pt20 -0.981 +421 Cu11Pt13 -1.680 +422 Cu16Pt8 -1.103 +423 Cu14Pt10 -1.845 +424 Cu7Pt17 -0.826 +425 Cu7Pt17 -1.351 +426 Cu14Pt10 -0.877 +427 Cu15Pt9 -0.787 +428 Cu15Pt9 -1.516 +429 Cu11Pt13 -1.567 +430 Cu15Pt9 -1.079 +431 Cu2Pt22 -0.447 +432 Cu4Pt20 -0.852 +433 Cu7Pt17 -0.682 +434 Cu13Pt11 -2.040 +435 Cu21Pt3 -0.993 +436 Cu18Pt6 -1.413 +437 Cu8Pt16 -1.298 +438 Cu10Pt14 -1.556 +439 Cu15Pt9 -1.768 +440 Cu13Pt11 -1.542 +441 Cu19Pt5 -1.054 +442 Cu4Pt20 -1.134 +443 Cu6Pt18 -1.486 +444 Cu23Pt -0.359 +445 Cu4Pt20 -1.138 +446 Cu9Pt15 -1.543 +447 Cu2Pt22 -0.340 +448 Cu21Pt3 -1.014 +449 Cu5Pt19 -1.296 +450 Cu10Pt14 -2.014 +451 Cu6Pt18 -1.351 +452 Cu4Pt20 -1.030 +453 Cu18Pt6 -1.573 +454 Cu8Pt16 -1.506 +455 Cu12Pt12 -1.703 +456 Cu6Pt18 -1.573 +457 Cu17Pt7 -1.748 +458 Cu22Pt2 -0.433 +459 Cu4Pt20 -1.085 +460 Cu15Pt9 -1.841 +461 Cu17Pt7 -0.436 +462 Cu9Pt15 -1.895 +463 Cu2Pt22 -0.509 +464 Cu11Pt13 -1.916 +465 Cu6Pt18 -1.136 +466 Cu20Pt4 -1.090 +467 Cu7Pt17 -1.670 +468 Cu8Pt16 -1.855 +469 Cu10Pt14 -1.898 +470 Cu13Pt11 -2.167 +471 Cu10Pt14 -1.590 +472 Cu19Pt5 -1.074 +473 Cu13Pt11 -1.952 +474 Cu21Pt3 -0.779 +475 Cu14Pt10 -2.017 +476 Cu18Pt6 -1.503 +477 Cu15Pt9 -2.113 +478 Cu2Pt22 -0.570 +479 Cu5Pt19 -1.403 +480 Cu9Pt15 -1.974 +481 Cu19Pt5 -1.400 +482 Cu5Pt19 -1.268 +483 Cu15Pt9 -0.779 +484 Cu23Pt -0.309 +485 Cu13Pt11 -2.044 +486 Cu12Pt12 -2.005 +487 Cu4Pt20 -0.835 +488 Cu11Pt13 -2.068 +489 Cu6Pt18 -1.392 +490 Cu11Pt13 -2.129 +491 Cu4Pt20 -0.999 +492 Cu17Pt7 -1.829 +493 Cu12Pt12 -2.025 +494 Cu7Pt17 -1.547 +495 Cu22Pt2 -0.560 +496 Cu10Pt14 -1.416 +497 Cu19Pt5 -1.276 +498 Cu11Pt13 -1.815 +499 Cu20Pt4 -1.028 +500 Cu4Pt20 -0.999 +501 Cu23Pt -0.309 +502 Cu7Pt17 -1.232 +503 Cu19Pt5 -1.360 +504 CuPt23 -0.224 +505 Cu18Pt6 -1.688 +506 Cu10Pt14 -1.078 +507 Cu3Pt21 -0.889 +508 Cu10Pt14 -2.014 +509 Cu4Pt20 -0.853 +510 Cu11Pt13 -2.000 +511 Cu21Pt3 -0.923 +512 Cu16Pt8 -1.775 +513 Cu10Pt14 -1.942 +514 Cu21Pt3 -0.868 +515 Cu21Pt3 -0.904 +516 Cu20Pt4 -1.065 +517 Cu12Pt12 -2.152 +518 Cu14Pt10 -1.130 +519 Cu4Pt20 -1.132 +520 Cu11Pt13 -1.971 +521 Cu10Pt14 -2.102 +522 Cu11Pt13 -1.640 +523 Cu13Pt11 -1.793 +Simplices: 16 ./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] 12:38:26 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 12:38:26 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 09:17:54 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 09:17:54 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 12:38:26 3.320051* 0.1208 -BFGSLineSearch: 1[ 1] 12:38:26 3.316117* 0.0474 +BFGSLineSearch: 0[ 0] 09:17:55 3.320051* 0.1208 +BFGSLineSearch: 1[ 1] 09:17:55 3.316117* 0.0474 Step Time Energy fmax -BFGS: 0 12:38:26 4.219952 3.5208 -BFGS: 1 12:38:26 3.937039 2.1765 -BFGS: 2 12:38:26 3.719814 0.4351 -BFGS: 3 12:38:26 3.709652 0.2301 -BFGS: 4 12:38:26 3.708879 0.2441 -BFGS: 5 12:38:27 3.706088 0.2577 -BFGS: 6 12:38:27 3.698532 0.2134 -BFGS: 7 12:38:27 3.692121 0.2462 -BFGS: 8 12:38:27 3.692274 0.1873 -BFGS: 9 12:38:27 3.693484 0.1727 -BFGS: 10 12:38:27 3.692659 0.1514 -BFGS: 11 12:38:27 3.690809 0.0736 -BFGS: 12 12:38:27 3.690202 0.0708 -BFGS: 13 12:38:27 3.690382 0.0782 -BFGS: 14 12:38:27 3.690426 0.1034 -BFGS: 15 12:38:28 3.689890 0.0998 -BFGS: 16 12:38:28 3.689029 0.0543 -BFGS: 17 12:38:28 3.688737 0.0289 +BFGS: 0 09:17:55 4.219952 3.5208 +BFGS: 1 09:17:56 3.937039 2.1765 +BFGS: 2 09:17:56 3.719814 0.4351 +BFGS: 3 09:17:57 3.709652 0.2301 +BFGS: 4 09:17:58 3.708879 0.2441 +BFGS: 5 09:17:59 3.706088 0.2577 +BFGS: 6 09:17:59 3.698532 0.2134 +BFGS: 7 09:18:00 3.692121 0.2462 +BFGS: 8 09:18:00 3.692274 0.1873 +BFGS: 9 09:18:01 3.693484 0.1727 +BFGS: 10 09:18:01 3.692659 0.1514 +BFGS: 11 09:18:02 3.690809 0.0736 +BFGS: 12 09:18:02 3.690202 0.0708 +BFGS: 13 09:18:02 3.690382 0.0782 +BFGS: 14 09:18:03 3.690426 0.1034 +BFGS: 15 09:18:03 3.689890 0.0998 +BFGS: 16 09:18:04 3.689029 0.0543 +BFGS: 17 09:18:04 3.688737 0.0289 Step Time Energy fmax -BFGS: 0 12:38:28 3.688737 0.0289 -BFGS: 1 12:38:28 3.688734 0.0265 -BFGS: 2 12:38:28 3.688730 0.0240 -BFGS: 3 12:38:28 3.688729 0.0239 -BFGS: 4 12:38:28 3.688718 0.0122 -BFGS: 5 12:38:29 3.688718 0.0086 -BFGS: 6 12:38:29 3.688718 0.0095 -BFGS: 7 12:38:29 3.688718 0.0097 -BFGS: 8 12:38:29 3.688716 0.0097 -BFGS: 9 12:38:29 3.688714 0.0087 -BFGS: 10 12:38:29 3.688714 0.0062 -BFGS: 11 12:38:29 3.688714 0.0053 -BFGS: 12 12:38:29 3.688714 0.0053 -BFGS: 13 12:38:29 3.688714 0.0066 -BFGS: 14 12:38:29 3.688715 0.0088 -BFGS: 15 12:38:30 3.688723 0.0109 -BFGS: 16 12:38:30 3.688733 0.0157 -BFGS: 17 12:38:30 3.688732 0.0153 -BFGS: 18 12:38:30 3.688722 0.0100 -BFGS: 19 12:38:30 3.688716 0.0050 -BFGS: 20 12:38:30 3.688716 0.0034 +BFGS: 0 09:18:05 3.688737 0.0289 +BFGS: 1 09:18:05 3.688734 0.0265 +BFGS: 2 09:18:06 3.688730 0.0240 +BFGS: 3 09:18:06 3.688729 0.0239 +BFGS: 4 09:18:07 3.688718 0.0122 +BFGS: 5 09:18:08 3.688718 0.0086 +BFGS: 6 09:18:08 3.688718 0.0095 +BFGS: 7 09:18:09 3.688718 0.0097 +BFGS: 8 09:18:09 3.688716 0.0097 +BFGS: 9 09:18:10 3.688714 0.0087 +BFGS: 10 09:18:10 3.688714 0.0062 +BFGS: 11 09:18:11 3.688714 0.0053 +BFGS: 12 09:18:12 3.688714 0.0053 +BFGS: 13 09:18:12 3.688714 0.0066 +BFGS: 14 09:18:13 3.688715 0.0088 +BFGS: 15 09:18:14 3.688723 0.0109 +BFGS: 16 09:18:14 3.688733 0.0157 +BFGS: 17 09:18:14 3.688732 0.0153 +BFGS: 18 09:18:15 3.688722 0.0100 +BFGS: 19 09:18:15 3.688716 0.0050 +BFGS: 20 09:18:16 3.688716 0.0034 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -9209,11 +9244,11 @@ WARNING: extlinks: Sphinx-6.0 will require a caption string to contain exactly one '%s' and all other '%' need to be escaped as '%%'. 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... -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://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 @@ -10037,15 +10072,15 @@ 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/ru/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/fi/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/eu/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/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/da/LC_MESSAGES/ag.mo dh_compress -O--buildsystem=pybuild dh_fixperms -O--buildsystem=pybuild dh_missing -O--buildsystem=pybuild @@ -10053,9 +10088,9 @@ dh_gencontrol -O--buildsystem=pybuild dh_md5sums -O--buildsystem=pybuild dh_builddeb -O--buildsystem=pybuild -dpkg-deb: building package 'ase' in '../ase_3.22.1-3_all.deb'. -dpkg-deb: building package 'python3-ase' in '../python3-ase_3.22.1-3_all.deb'. dpkg-deb: building package 'python-ase-doc' in '../python-ase-doc_3.22.1-3_all.deb'. +dpkg-deb: building package 'python3-ase' in '../python3-ase_3.22.1-3_all.deb'. +dpkg-deb: building package 'ase' in '../ase_3.22.1-3_all.deb'. dpkg-genbuildinfo --build=binary -O../python-ase_3.22.1-3_amd64.buildinfo dpkg-genchanges --build=binary -O../python-ase_3.22.1-3_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -10063,12 +10098,14 @@ 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/57165/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/57165/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/865704 and its subdirectories -I: Current time: Wed Feb 12 12:40:17 -12 2025 -I: pbuilder-time-stamp: 1739407217 +I: removing directory /srv/workspace/pbuilder/57165 and its subdirectories +I: Current time: Fri Jan 12 09:22:52 +14 2024 +I: pbuilder-time-stamp: 1705000972