Diff of the two buildlogs: -- --- b1/build.log 2024-05-01 22:44:46.167370951 +0000 +++ b2/build.log 2024-05-01 22:30:22.968109254 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue Jun 3 16:53:25 -12 2025 -I: pbuilder-time-stamp: 1749012805 +I: Current time: Wed Jun 4 18:39:04 +14 2025 +I: pbuilder-time-stamp: 1749011944 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -40,52 +40,84 @@ dpkg-source: info: applying ignore-DeprecationWarnings.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3907735/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/946365/tmp/hooks/D01_modify_environment starting +debug: Running on codethink01-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 Jun 4 04:39 /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/946365/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/946365/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]="21" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='ae14cfeda14e45a4a49af3be674e6f12' - 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='3907735' - PS1='# ' - PS2='> ' + INVOCATION_ID=a7ad7fb3e3a3499ba9bf47cd617478d5 + 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=946365 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.HGDK54mG/pbuilderrc_P5Fn --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.HGDK54mG/b1 --logfile b1/build.log python-ase_3.22.1-4.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://192.168.101.4:3128' + 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.HGDK54mG/pbuilderrc_m0kc --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.HGDK54mG/b2 --logfile b2/build.log python-ase_3.22.1-4.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://192.168.101.4:3128 I: uname -a - Linux codethink03-arm64 6.1.0-20-cloud-arm64 #1 SMP Debian 6.1.85-1 (2024-04-11) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-20-cloud-arm64 #1 SMP Debian 6.1.85-1 (2024-04-11) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 24 13:38 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3907735/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 26 17:47 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/946365/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -565,7 +597,7 @@ Get: 249 http://deb.debian.org/debian trixie/main arm64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 250 http://deb.debian.org/debian trixie/main arm64 texlive-base all 2023.20240207-1 [22.0 MB] Get: 251 http://deb.debian.org/debian trixie/main arm64 texlive-latex-base all 2023.20240207-1 [1255 kB] -Fetched 167 MB in 1s (244 MB/s) +Fetched 167 MB in 1s (199 MB/s) debconf: delaying package configuration, since apt-utils is not installed dpkg: libdb5.3:arm64: dependency problems, but removing anyway as you requested: libperl5.38:arm64 depends on libdb5.3. @@ -1393,8 +1425,8 @@ Setting up tzdata (2024a-3) ... Current default time zone: 'Etc/UTC' -Local time is now: Wed Jun 4 04:54:02 UTC 2025. -Universal Time is now: Wed Jun 4 04:54:02 UTC 2025. +Local time is now: Wed Jun 4 04:39:44 UTC 2025. +Universal Time is now: Wed Jun 4 04:39:44 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up unicode-data (15.1.0-1) ... @@ -1643,7 +1675,11 @@ 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_3.22.1-4_source.changes +I: user script /srv/workspace/pbuilder/946365/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/946365/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_3.22.1-4_source.changes dpkg-buildpackage: info: source package python-ase dpkg-buildpackage: info: source version 3.22.1-4 dpkg-buildpackage: info: source distribution unstable @@ -6044,7 +6080,7 @@ 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, 406 warnings in 226.49s (0:03:46) = += 1652 passed, 299 skipped, 3 xfailed, 1 xpassed, 406 warnings in 193.80s (0:03:13) = I: pybuild base:311: cd ase/test; python3.11 -m ase test About to run pytest with these parameters: -v @@ -8093,7 +8129,7 @@ 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, 7 warnings in 204.07s (0:03:24) = += 1652 passed, 299 skipped, 3 xfailed, 1 xpassed, 7 warnings in 238.13s (0:03:58) = make[1]: Leaving directory '/build/reproducible-path/python-ase-3.22.1' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=pybuild @@ -8268,19 +8304,19 @@ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/cp2k.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/counterions.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/abinit.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/dftd3.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/fleur.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/demonnano.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/psi4.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/onetep.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/orca.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/mopac.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/gamess_us.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/acemolecule.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/qchem.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/dmol.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/gulp.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/qchem.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/exciting.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/dftd3.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/orca.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/demonnano.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/acemolecule.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/onetep.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/gulp.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/ff.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/mixing.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/calculators/__pycache__/idealgas.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/calculators/__pycache__ @@ -8971,10 +9007,10 @@ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/bundlemanipulate.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/aff.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/proteindatabank.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ +copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/orca.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/gamess_us.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/dmol.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/exciting.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ -copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/orca.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/wannier90.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/vasp.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.12_ase/build/ase/io/__pycache__/rmc6f.cpython-312.pyc -> /build/reproducible-path/python-ase-3.22.1/debian/python3-ase/usr/lib/python3.12/dist-packages/ase/io/__pycache__ @@ -11737,17 +11773,17 @@ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/calculators/__pycache__/cp2k.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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__/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__ @@ -12312,9 +12348,9 @@ copying /build/reproducible-path/python-ase-3.22.1/.pybuild/cpython3_3.11_ase/build/ase/io/__pycache__/bundlemanipulate.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__/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__/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__/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__/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__/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__/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__ @@ -14921,68 +14957,68 @@ 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 v7.2.6 -Matplotlib created a temporary config/cache directory at /tmp/matplotlib-5heek8gu 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-_tnhmzdd 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 17:03:29 11.881544 5.0770 -PreconLBFGS: 1 17:03:29 9.721479 3.9439 -PreconLBFGS: 2 17:03:29 8.763736 4.8036 -PreconLBFGS: 3 17:03:29 7.844821 3.7443 -PreconLBFGS: 4 17:03:29 6.983034 4.0077 -PreconLBFGS: 5 17:03:30 6.241838 3.4906 -PreconLBFGS: 6 17:03:30 5.431719 3.4055 -PreconLBFGS: 7 17:03:30 4.618000 3.0392 -PreconLBFGS: 8 17:03:30 3.870055 2.6555 -PreconLBFGS: 9 17:03:30 3.227248 2.3331 -PreconLBFGS: 10 17:03:30 2.530719 2.0596 -PreconLBFGS: 11 17:03:31 2.033757 1.7769 -PreconLBFGS: 12 17:03:31 1.512731 1.4761 -PreconLBFGS: 13 17:03:31 1.149587 1.1205 -PreconLBFGS: 14 17:03:31 0.914239 0.8209 -PreconLBFGS: 15 17:03:32 0.788020 0.5450 -PreconLBFGS: 16 17:03:32 0.714341 0.3851 -PreconLBFGS: 17 17:03:32 0.674602 0.2785 -PreconLBFGS: 18 17:03:32 0.652484 0.2171 -PreconLBFGS: 19 17:03:33 0.643906 0.1797 -PreconLBFGS: 20 17:03:33 0.640309 0.1501 -PreconLBFGS: 21 17:03:34 0.638003 0.1324 -PreconLBFGS: 22 17:03:34 0.636776 0.1094 -PreconLBFGS: 23 17:03:34 0.635986 0.0850 -PreconLBFGS: 24 17:03:34 0.635433 0.0522 -PreconLBFGS: 25 17:03:35 0.634973 0.0305 -PreconLBFGS: 26 17:03:35 0.634716 0.0193 -PreconLBFGS: 27 17:03:35 0.634592 0.0132 -PreconLBFGS: 28 17:03:36 0.634522 0.0112 -PreconLBFGS: 29 17:03:36 0.634486 0.0089 -PreconLBFGS: 30 17:03:36 0.634470 0.0083 -PreconLBFGS: 31 17:03:37 0.634462 0.0072 -PreconLBFGS: 32 17:03:37 0.634456 0.0050 -PreconLBFGS: 33 17:03:37 0.634452 0.0030 -PreconLBFGS: 34 17:03:37 0.634449 0.0017 -PreconLBFGS: 35 17:03:38 0.634448 0.0013 -PreconLBFGS: 36 17:03:38 0.634447 0.0009 -PreconLBFGS: 0 17:03:38 11.881544 5.0770 -PreconLBFGS: 1 17:03:39 9.794004 4.0022 -PreconLBFGS: 2 17:03:39 7.255200 3.4746 -PreconLBFGS: 3 17:03:39 5.540273 2.7637 -PreconLBFGS: 4 17:03:39 4.030393 2.2824 -PreconLBFGS: 5 17:03:39 2.861759 1.7993 -PreconLBFGS: 6 17:03:39 1.960588 1.3805 -PreconLBFGS: 7 17:03:40 1.319087 0.9972 -PreconLBFGS: 8 17:03:40 0.913600 0.6490 -PreconLBFGS: 9 17:03:40 0.661975 0.1417 -PreconLBFGS: 10 17:03:40 0.649358 0.0762 -PreconLBFGS: 11 17:03:40 0.637452 0.0305 -PreconLBFGS: 12 17:03:40 0.636014 0.0233 -PreconLBFGS: 13 17:03:41 0.635005 0.0150 -PreconLBFGS: 14 17:03:41 0.634698 0.0076 -PreconLBFGS: 15 17:03:41 0.634546 0.0033 -PreconLBFGS: 16 17:03:41 0.634482 0.0026 -PreconLBFGS: 17 17:03:41 0.634461 0.0020 -PreconLBFGS: 18 17:03:41 0.634453 0.0012 -PreconLBFGS: 19 17:03:42 0.634449 0.0009 +PreconLBFGS: 0 18:49:16 11.881544 5.0770 +PreconLBFGS: 1 18:49:16 9.721479 3.9439 +PreconLBFGS: 2 18:49:16 8.763736 4.8036 +PreconLBFGS: 3 18:49:16 7.844821 3.7443 +PreconLBFGS: 4 18:49:16 6.983034 4.0077 +PreconLBFGS: 5 18:49:17 6.241838 3.4906 +PreconLBFGS: 6 18:49:17 5.431719 3.4055 +PreconLBFGS: 7 18:49:17 4.618000 3.0392 +PreconLBFGS: 8 18:49:17 3.870055 2.6555 +PreconLBFGS: 9 18:49:17 3.227248 2.3331 +PreconLBFGS: 10 18:49:17 2.530719 2.0596 +PreconLBFGS: 11 18:49:17 2.033757 1.7769 +PreconLBFGS: 12 18:49:18 1.512731 1.4761 +PreconLBFGS: 13 18:49:18 1.149587 1.1205 +PreconLBFGS: 14 18:49:18 0.914239 0.8209 +PreconLBFGS: 15 18:49:18 0.788020 0.5450 +PreconLBFGS: 16 18:49:18 0.714341 0.3851 +PreconLBFGS: 17 18:49:19 0.674602 0.2785 +PreconLBFGS: 18 18:49:19 0.652484 0.2171 +PreconLBFGS: 19 18:49:19 0.643906 0.1797 +PreconLBFGS: 20 18:49:20 0.640309 0.1501 +PreconLBFGS: 21 18:49:20 0.638003 0.1324 +PreconLBFGS: 22 18:49:20 0.636776 0.1094 +PreconLBFGS: 23 18:49:20 0.635986 0.0850 +PreconLBFGS: 24 18:49:21 0.635433 0.0522 +PreconLBFGS: 25 18:49:21 0.634973 0.0305 +PreconLBFGS: 26 18:49:21 0.634716 0.0193 +PreconLBFGS: 27 18:49:21 0.634592 0.0132 +PreconLBFGS: 28 18:49:22 0.634522 0.0112 +PreconLBFGS: 29 18:49:22 0.634486 0.0089 +PreconLBFGS: 30 18:49:22 0.634470 0.0083 +PreconLBFGS: 31 18:49:23 0.634462 0.0072 +PreconLBFGS: 32 18:49:23 0.634456 0.0050 +PreconLBFGS: 33 18:49:23 0.634452 0.0030 +PreconLBFGS: 34 18:49:23 0.634449 0.0017 +PreconLBFGS: 35 18:49:24 0.634448 0.0013 +PreconLBFGS: 36 18:49:24 0.634447 0.0009 +PreconLBFGS: 0 18:49:24 11.881544 5.0770 +PreconLBFGS: 1 18:49:24 9.794004 4.0022 +PreconLBFGS: 2 18:49:24 7.255200 3.4746 +PreconLBFGS: 3 18:49:25 5.540273 2.7637 +PreconLBFGS: 4 18:49:25 4.030393 2.2824 +PreconLBFGS: 5 18:49:25 2.861759 1.7993 +PreconLBFGS: 6 18:49:25 1.960588 1.3805 +PreconLBFGS: 7 18:49:25 1.319087 0.9972 +PreconLBFGS: 8 18:49:25 0.913600 0.6490 +PreconLBFGS: 9 18:49:26 0.661975 0.1417 +PreconLBFGS: 10 18:49:26 0.649358 0.0762 +PreconLBFGS: 11 18:49:26 0.637452 0.0305 +PreconLBFGS: 12 18:49:26 0.636014 0.0233 +PreconLBFGS: 13 18:49:26 0.635005 0.0150 +PreconLBFGS: 14 18:49:26 0.634698 0.0076 +PreconLBFGS: 15 18:49:27 0.634546 0.0033 +PreconLBFGS: 16 18:49:27 0.634482 0.0026 +PreconLBFGS: 17 18:49:27 0.634461 0.0020 +PreconLBFGS: 18 18:49:27 0.634453 0.0012 +PreconLBFGS: 19 18:49:27 0.634449 0.0009 ./doc/ase precon.png running: ./doc/ase/plot_radii.py ./doc/ase atomic_radii.png @@ -15105,23 +15141,23 @@ ./doc/ase/cluster truncated.png running: ./doc/ase/db/db.py Step Time Energy fmax -BFGS: 0 17:04:04 1.419426 9.8029 -BFGS: 1 17:04:04 2.139894 7.9322 -BFGS: 2 17:04:04 1.280719 4.9902 -BFGS: 3 17:04:04 2.298637 21.4603 -BFGS: 4 17:04:04 1.122419 2.7684 -BFGS: 5 17:04:04 1.081517 1.3439 -BFGS: 6 17:04:04 1.070848 0.2363 -BFGS: 7 17:04:04 1.070543 0.0157 -BFGS: 8 17:04:04 1.070541 0.0002 +BFGS: 0 18:49:46 1.419426 9.8029 +BFGS: 1 18:49:46 2.139894 7.9322 +BFGS: 2 18:49:46 1.280719 4.9902 +BFGS: 3 18:49:46 2.298637 21.4603 +BFGS: 4 18:49:46 1.122419 2.7684 +BFGS: 5 18:49:46 1.081517 1.3439 +BFGS: 6 18:49:46 1.070848 0.2363 +BFGS: 7 18:49:46 1.070543 0.0157 +BFGS: 8 18:49:46 1.070541 0.0002 /build/reproducible-path/python-ase-3.22.1/ase/phasediagram.py:253: OptimizeWarning: Unrecognized options detected: {'lstsq': True}. These will be passed to HiGHS verbatim. result = linprog(c=energies, relaxed : True id : 2 -unique_id : 139720671418380c99cf70c191d57b37 -ctime : 25.424374622340213 -mtime : 25.424374622340213 -user : pbuilder1 +unique_id : e55632303971ac62fcffb7a231f3c9a3 +ctime : 25.42434743835491 +mtime : 25.42434743835491 +user : pbuilder2 numbers : [1 1] positions : [[ 6.62928476e-21 1.14159417e-19 -3.95240142e-02] [-1.40357951e-18 7.01143472e-20 7.39524014e-01]] @@ -15276,9 +15312,9 @@ running: ./doc/gettingstarted/surface.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:26 11.689927* 1.0797 -BFGSLineSearch: 1[ 2] 17:05:26 11.670814* 0.4090 -BFGSLineSearch: 2[ 4] 17:05:26 11.625880* 0.0409 +BFGSLineSearch: 0[ 0] 18:51:03 11.689927* 1.0797 +BFGSLineSearch: 1[ 2] 18:51:04 11.670814* 0.4090 +BFGSLineSearch: 2[ 4] 18:51:04 11.625880* 0.0409 Adsorption energy: 0.323519422318034 ./doc/gettingstarted surface.png running: ./doc/gettingstarted/manipulating_atoms/manipulating_atoms.py @@ -15296,92 +15332,92 @@ True True False False False] Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:28 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 17:05:28 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 17:05:28 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 17:05:28 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 18:51:05 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 18:51:05 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 18:51:05 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 18:51:05 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:28 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 17:05:28 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 17:05:28 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 17:05:28 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 18:51:05 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 18:51:05 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 18:51:05 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 18:51:05 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 17:05:28 4.969997 1.0132 -MDMin: 1 17:05:28 4.922173 0.8526 -MDMin: 2 17:05:28 4.833353 0.4715 -MDMin: 3 17:05:28 4.783147 0.1445 -MDMin: 4 17:05:28 4.762840 0.1083 -MDMin: 5 17:05:28 4.748802 0.1243 -MDMin: 6 17:05:28 4.738339 0.1125 -MDMin: 7 17:05:29 4.734398 0.1373 -MDMin: 8 17:05:29 4.733206 0.1291 -MDMin: 9 17:05:29 4.730681 0.1066 -MDMin: 10 17:05:29 4.728545 0.0796 -MDMin: 11 17:05:29 4.726697 0.0670 -MDMin: 12 17:05:29 4.724795 0.0553 -MDMin: 13 17:05:29 4.723081 0.0394 +MDMin: 0 18:51:05 4.969997 1.0132 +MDMin: 1 18:51:05 4.922173 0.8526 +MDMin: 2 18:51:05 4.833353 0.4715 +MDMin: 3 18:51:05 4.783147 0.1445 +MDMin: 4 18:51:06 4.762840 0.1083 +MDMin: 5 18:51:06 4.748802 0.1243 +MDMin: 6 18:51:06 4.738339 0.1125 +MDMin: 7 18:51:06 4.734398 0.1373 +MDMin: 8 18:51:06 4.733206 0.1291 +MDMin: 9 18:51:06 4.730681 0.1066 +MDMin: 10 18:51:06 4.728545 0.0796 +MDMin: 11 18:51:06 4.726697 0.0670 +MDMin: 12 18:51:06 4.724795 0.0553 +MDMin: 13 18:51:06 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] 17:05:29 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 17:05:29 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 17:05:29 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 17:05:29 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 18:51:06 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 18:51:06 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 18:51:06 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 18:51:06 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:29 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 17:05:29 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 17:05:29 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 17:05:29 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 18:51:06 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 18:51:06 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 18:51:06 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 18:51:06 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 17:05:29 7.907337 7.4468 -MDMin: 1 17:05:29 6.168331 3.6842 -MDMin: 2 17:05:29 5.447472 1.0574 -MDMin: 3 17:05:29 5.396259 0.8197 -MDMin: 4 17:05:30 5.309107 0.5214 -MDMin: 5 17:05:30 5.249202 0.4171 -MDMin: 6 17:05:30 5.211870 0.1746 -MDMin: 7 17:05:30 5.193370 0.2491 -MDMin: 8 17:05:30 5.186767 0.1250 -MDMin: 9 17:05:30 5.184593 0.0800 -MDMin: 10 17:05:30 5.182310 0.0874 -MDMin: 11 17:05:30 5.179945 0.0682 -MDMin: 12 17:05:30 5.177732 0.0547 -MDMin: 13 17:05:30 5.175962 0.0309 +MDMin: 0 18:51:06 7.907337 7.4468 +MDMin: 1 18:51:07 6.168331 3.6842 +MDMin: 2 18:51:07 5.447472 1.0574 +MDMin: 3 18:51:07 5.396259 0.8197 +MDMin: 4 18:51:07 5.309107 0.5214 +MDMin: 5 18:51:07 5.249202 0.4171 +MDMin: 6 18:51:07 5.211870 0.1746 +MDMin: 7 18:51:07 5.193370 0.2491 +MDMin: 8 18:51:07 5.186767 0.1250 +MDMin: 9 18:51:07 5.184593 0.0800 +MDMin: 10 18:51:07 5.182310 0.0874 +MDMin: 11 18:51:07 5.179945 0.0682 +MDMin: 12 18:51:07 5.177732 0.0547 +MDMin: 13 18:51:07 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] 17:05:30 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 17:05:30 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 17:05:30 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 17:05:30 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 18:51:07 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 18:51:07 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 18:51:07 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 18:51:08 4.611640* 0.0336 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:30 4.639215* 0.2538 -BFGSLineSearch: 1[ 2] 17:05:30 4.622063* 0.1580 -BFGSLineSearch: 2[ 4] 17:05:30 4.613340* 0.0622 -BFGSLineSearch: 3[ 5] 17:05:30 4.611640* 0.0336 +BFGSLineSearch: 0[ 0] 18:51:08 4.639215* 0.2538 +BFGSLineSearch: 1[ 2] 18:51:08 4.622063* 0.1580 +BFGSLineSearch: 2[ 4] 18:51:08 4.613340* 0.0622 +BFGSLineSearch: 3[ 5] 18:51:08 4.611640* 0.0336 Step Time Energy fmax -MDMin: 0 17:05:30 5.433815 1.1528 -MDMin: 1 17:05:31 5.352153 1.0378 -MDMin: 2 17:05:31 5.179224 0.7749 -MDMin: 3 17:05:31 5.033743 0.4672 -MDMin: 4 17:05:31 4.952170 0.2689 -MDMin: 5 17:05:31 4.905035 0.1593 -MDMin: 6 17:05:31 4.877860 0.1282 -MDMin: 7 17:05:31 4.868891 0.1395 -MDMin: 8 17:05:31 4.868163 0.1307 -MDMin: 9 17:05:31 4.866419 0.1103 -MDMin: 10 17:05:31 4.864367 0.0944 -MDMin: 11 17:05:31 4.862194 0.0893 -MDMin: 12 17:05:31 4.859895 0.0854 -MDMin: 13 17:05:31 4.857565 0.0801 -MDMin: 14 17:05:31 4.855300 0.0720 -MDMin: 15 17:05:32 4.853137 0.0588 -MDMin: 16 17:05:32 4.851083 0.0461 +MDMin: 0 18:51:08 5.433815 1.1528 +MDMin: 1 18:51:08 5.352153 1.0378 +MDMin: 2 18:51:08 5.179224 0.7749 +MDMin: 3 18:51:08 5.033743 0.4672 +MDMin: 4 18:51:08 4.952170 0.2689 +MDMin: 5 18:51:08 4.905035 0.1593 +MDMin: 6 18:51:08 4.877860 0.1282 +MDMin: 7 18:51:08 4.868891 0.1395 +MDMin: 8 18:51:08 4.868163 0.1307 +MDMin: 9 18:51:08 4.866419 0.1103 +MDMin: 10 18:51:08 4.864367 0.0944 +MDMin: 11 18:51:08 4.862194 0.0893 +MDMin: 12 18:51:09 4.859895 0.0854 +MDMin: 13 18:51:09 4.857565 0.0801 +MDMin: 14 18:51:09 4.855300 0.0720 +MDMin: 15 18:51:09 4.853137 0.0588 +MDMin: 16 18:51:09 4.851083 0.0461 ./doc/tutorials test.txt running: ./doc/tutorials/saving_graphics.py ./doc/tutorials nice.png @@ -15390,38 +15426,38 @@ running: ./doc/tutorials/constraints/diffusion.py Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:33 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 17:05:33 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 18:51:11 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 18:51:11 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:33 3.730166* 1.6460 -BFGSLineSearch: 1[ 2] 17:05:33 3.546230* 0.2605 -BFGSLineSearch: 2[ 4] 17:05:34 3.513795* 0.1080 -BFGSLineSearch: 3[ 6] 17:05:34 3.502279* 0.0500 +BFGSLineSearch: 0[ 0] 18:51:11 3.730166* 1.6460 +BFGSLineSearch: 1[ 2] 18:51:11 3.546230* 0.2605 +BFGSLineSearch: 2[ 4] 18:51:11 3.513795* 0.1080 +BFGSLineSearch: 3[ 6] 18:51:11 3.502279* 0.0500 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:34 3.764262* 1.0444 -BFGSLineSearch: 1[ 2] 17:05:34 3.708446* 0.1203 -BFGSLineSearch: 2[ 4] 17:05:34 3.695835* 0.0668 -BFGSLineSearch: 3[ 6] 17:05:34 3.691660* 0.0618 -BFGSLineSearch: 4[ 7] 17:05:34 3.690089* 0.0300 +BFGSLineSearch: 0[ 0] 18:51:11 3.764262* 1.0444 +BFGSLineSearch: 1[ 2] 18:51:11 3.708446* 0.1203 +BFGSLineSearch: 2[ 4] 18:51:11 3.695835* 0.0668 +BFGSLineSearch: 3[ 6] 18:51:11 3.691660* 0.0618 +BFGSLineSearch: 4[ 7] 18:51:11 3.690089* 0.0300 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:34 3.580034* 0.6521 -BFGSLineSearch: 1[ 1] 17:05:34 3.544894* 0.1627 -BFGSLineSearch: 2[ 3] 17:05:34 3.516850* 0.1946 -BFGSLineSearch: 3[ 4] 17:05:34 3.508545* 0.1325 -BFGSLineSearch: 4[ 5] 17:05:34 3.503316* 0.1022 -BFGSLineSearch: 5[ 6] 17:05:34 3.500392* 0.0550 -BFGSLineSearch: 6[ 8] 17:05:34 3.499584* 0.0392 +BFGSLineSearch: 0[ 0] 18:51:11 3.580034* 0.6521 +BFGSLineSearch: 1[ 1] 18:51:11 3.544894* 0.1627 +BFGSLineSearch: 2[ 3] 18:51:11 3.516850* 0.1946 +BFGSLineSearch: 3[ 4] 18:51:11 3.508545* 0.1325 +BFGSLineSearch: 4[ 5] 18:51:11 3.503316* 0.1022 +BFGSLineSearch: 5[ 6] 18:51:11 3.500392* 0.0550 +BFGSLineSearch: 6[ 8] 18:51:11 3.499584* 0.0392 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:05:34 3.463634* 0.5332 -BFGSLineSearch: 1[ 2] 17:05:34 3.356702* 0.4028 -BFGSLineSearch: 2[ 3] 17:05:34 3.333298* 0.1536 -BFGSLineSearch: 3[ 4] 17:05:34 3.322604* 0.1003 -BFGSLineSearch: 4[ 5] 17:05:34 3.318477* 0.0658 -BFGSLineSearch: 5[ 6] 17:05:34 3.316534* 0.0483 +BFGSLineSearch: 0[ 0] 18:51:11 3.463634* 0.5332 +BFGSLineSearch: 1[ 2] 18:51:11 3.356702* 0.4028 +BFGSLineSearch: 2[ 3] 18:51:11 3.333298* 0.1536 +BFGSLineSearch: 3[ 4] 18:51:11 3.322604* 0.1003 +BFGSLineSearch: 4[ 5] 18:51:11 3.318477* 0.0658 +BFGSLineSearch: 5[ 6] 18:51:11 3.316534* 0.0483 ./doc/tutorials/constraints diffusion-path.png running: ./doc/tutorials/db/run.py Added 0 key-value pairs (0 pairs updated) @@ -15466,582 +15502,585 @@ Creating and evaluating generation 9 Creating and evaluating generation 10 Species: Cu, Pt -References: 521 +References: 524 0 Cu24 -0.000 1 Pt24 -0.000 -2 Cu8Pt16 -1.016 -3 Cu21Pt3 -0.850 -4 Cu10Pt14 -1.345 -5 Cu17Pt7 -1.360 -6 Cu12Pt12 -1.925 -7 Cu23Pt -0.309 -8 Cu6Pt18 -1.197 -9 Cu16Pt8 -1.674 -10 Cu15Pt9 -1.039 -11 Cu2Pt22 -0.381 -12 Cu2Pt22 -0.565 -13 Cu13Pt11 -1.531 -14 Cu6Pt18 -1.344 -15 Cu17Pt7 -1.577 -16 Cu8Pt16 -1.556 -17 Cu14Pt10 -1.806 -18 Cu2Pt22 -0.509 -19 Cu13Pt11 -1.677 -20 CuPt23 -0.224 -21 Cu13Pt11 -2.105 -22 Cu22Pt2 -0.629 -23 Cu23Pt -0.359 -24 Cu14Pt10 -1.539 -25 Cu3Pt21 -0.659 -26 Cu4Pt20 -0.852 -27 Cu13Pt11 -1.489 -28 Cu12Pt12 -1.376 -29 Cu12Pt12 -1.960 -30 Cu17Pt7 -1.605 -31 Cu21Pt3 -0.751 -32 Cu15Pt9 -1.796 -33 Cu4Pt20 -1.122 -34 Cu18Pt6 -1.401 -35 Cu21Pt3 -0.798 -36 Cu23Pt -0.309 -37 CuPt23 -0.224 -38 Cu8Pt16 -1.427 -39 Cu16Pt8 -1.742 -40 Cu8Pt16 -1.076 -41 Cu9Pt15 -1.509 -42 Cu9Pt15 -1.951 -43 Cu6Pt18 -1.489 -44 Cu18Pt6 -1.364 -45 Cu12Pt12 -2.012 -46 Cu21Pt3 -1.007 -47 Cu15Pt9 -1.786 -48 Cu11Pt13 -2.024 -49 Cu10Pt14 -1.907 -50 Cu16Pt8 -1.246 -51 Cu13Pt11 -1.858 -52 Cu18Pt6 -1.728 -53 Cu11Pt13 -1.817 -54 Cu20Pt4 -1.106 -55 Cu8Pt16 -1.241 -56 Cu10Pt14 -1.439 -57 Cu3Pt21 -0.669 -58 Cu8Pt16 -1.641 -59 Cu5Pt19 -1.253 -60 CuPt23 -0.224 -61 Cu15Pt9 -1.843 -62 Cu7Pt17 -1.437 -63 Cu8Pt16 -0.985 -64 Cu3Pt21 -0.767 -65 Cu6Pt18 -1.555 -66 Cu9Pt15 -1.668 -67 Cu15Pt9 -1.334 -68 Cu6Pt18 -1.485 -69 CuPt23 -0.224 -70 Cu13Pt11 -2.188 -71 Cu22Pt2 -0.560 -72 Cu23Pt -0.309 -73 Cu12Pt12 -2.261 -74 Cu18Pt6 -1.021 -75 Cu10Pt14 -1.663 -76 Cu3Pt21 -0.661 -77 Cu8Pt16 -1.509 -78 CuPt23 -0.336 -79 Cu18Pt6 -1.430 -80 Cu17Pt7 -1.295 -81 Cu20Pt4 -0.740 -82 Cu19Pt5 -1.047 -83 Cu11Pt13 -1.559 -84 Cu18Pt6 -1.287 -85 Cu21Pt3 -0.971 -86 Cu2Pt22 -0.444 -87 Cu20Pt4 -1.104 -88 Cu12Pt12 -1.885 -89 Cu5Pt19 -0.844 -90 Cu11Pt13 -1.608 -91 Cu18Pt6 -1.529 -92 Cu10Pt14 -1.305 -93 Cu10Pt14 -1.726 -94 Cu15Pt9 -1.711 -95 Cu20Pt4 -1.123 -96 Cu10Pt14 -1.937 -97 Cu10Pt14 -1.918 -98 Cu3Pt21 -0.777 -99 Cu23Pt -0.309 -100 CuPt23 -0.224 -101 Cu3Pt21 -0.796 -102 Cu14Pt10 -2.108 -103 Cu4Pt20 -0.823 -104 Cu20Pt4 -1.182 -105 Cu6Pt18 -1.456 -106 Cu22Pt2 -0.521 -107 Cu8Pt16 -0.852 -108 Cu9Pt15 -1.639 -109 Cu21Pt3 -0.933 -110 Cu4Pt20 -1.002 -111 Cu6Pt18 -1.555 -112 Cu15Pt9 -1.821 -113 Cu14Pt10 -1.944 -114 Cu19Pt5 -1.335 -115 Cu11Pt13 -1.193 -116 Cu5Pt19 -1.044 -117 Cu6Pt18 -1.445 -118 Cu6Pt18 -1.512 -119 Cu7Pt17 -1.372 -120 Cu4Pt20 -0.750 -121 Cu8Pt16 -1.493 -122 Cu8Pt16 -0.965 -123 Cu9Pt15 -1.854 -124 Cu11Pt13 -1.540 -125 Cu15Pt9 -1.830 -126 Cu3Pt21 -0.767 -127 Cu9Pt15 -1.787 -128 Cu3Pt21 -0.641 -129 Cu17Pt7 -1.664 -130 Cu13Pt11 -1.874 -131 Cu21Pt3 -0.993 -132 Cu23Pt -0.309 -133 Cu19Pt5 -1.137 -134 Cu23Pt -0.359 -135 Cu13Pt11 -1.492 -136 Cu17Pt7 -1.381 -137 Cu15Pt9 -1.768 -138 Cu8Pt16 -1.676 -139 Cu13Pt11 -1.959 -140 Cu8Pt16 -1.313 -141 Cu7Pt17 -1.413 -142 Cu5Pt19 -1.079 -143 Cu16Pt8 -1.819 -144 Cu10Pt14 -2.030 -145 Cu18Pt6 -1.392 -146 Cu11Pt13 -1.749 -147 Cu3Pt21 -0.693 -148 Cu11Pt13 -2.038 -149 Cu7Pt17 -1.546 -150 Cu14Pt10 -1.959 -151 Cu13Pt11 -1.875 -152 Cu14Pt10 -1.942 -153 Cu17Pt7 -1.508 -154 Cu12Pt12 -1.837 -155 Cu12Pt12 -1.650 -156 Cu9Pt15 -1.648 -157 Cu5Pt19 -1.100 -158 Cu5Pt19 -0.962 -159 Cu15Pt9 -1.796 -160 Cu15Pt9 -0.898 -161 Cu9Pt15 -1.140 -162 Cu17Pt7 -0.722 -163 Cu10Pt14 -1.998 -164 Cu20Pt4 -0.863 -165 Cu10Pt14 -1.525 -166 Cu3Pt21 -0.872 -167 Cu7Pt17 -1.484 -168 Cu16Pt8 -1.661 -169 Cu17Pt7 -1.348 -170 CuPt23 -0.224 -171 Cu2Pt22 -0.501 -172 Cu8Pt16 -1.851 -173 Cu9Pt15 -1.822 -174 Cu16Pt8 -1.736 -175 Cu14Pt10 -1.712 -176 Cu13Pt11 -2.063 -177 CuPt23 -0.224 -178 Cu5Pt19 -1.028 -179 Cu12Pt12 -1.869 -180 Cu10Pt14 -1.865 -181 Cu22Pt2 -0.599 -182 Cu13Pt11 -1.365 -183 Cu19Pt5 -1.023 -184 Cu20Pt4 -1.100 -185 Cu9Pt15 -1.865 -186 Cu19Pt5 -1.055 -187 Cu21Pt3 -0.933 -188 Cu16Pt8 -1.728 -189 Cu6Pt18 -1.456 -190 Cu13Pt11 -1.964 -191 Cu4Pt20 -0.824 -192 Cu10Pt14 -1.953 -193 Cu8Pt16 -1.336 -194 Cu4Pt20 -1.052 -195 Cu22Pt2 -0.676 -196 Cu20Pt4 -0.858 -197 Cu19Pt5 -1.455 -198 Cu10Pt14 -1.826 -199 Cu12Pt12 -2.018 -200 Cu10Pt14 -1.951 -201 Cu18Pt6 -1.728 -202 Cu3Pt21 -0.796 -203 Cu11Pt13 -2.165 -204 CuPt23 -0.224 -205 Cu5Pt19 -1.300 -206 Cu20Pt4 -1.151 -207 Cu20Pt4 -1.069 -208 Cu22Pt2 -0.521 -209 Cu9Pt15 -1.439 -210 Cu12Pt12 -1.580 -211 Cu15Pt9 -1.816 -212 Cu9Pt15 -1.220 -213 Cu13Pt11 -1.369 -214 Cu2Pt22 -0.711 -215 Cu23Pt -0.359 -216 Cu16Pt8 -1.744 -217 Cu15Pt9 -1.808 -218 CuPt23 -0.224 -219 Cu13Pt11 -1.249 -220 Cu20Pt4 -1.291 -221 Cu14Pt10 -1.347 -222 Cu9Pt15 -1.910 -223 Cu11Pt13 -1.529 -224 Cu16Pt8 -1.870 -225 Cu19Pt5 -1.309 -226 Cu23Pt -0.309 -227 Cu8Pt16 -1.614 -228 Cu15Pt9 -0.894 -229 Cu9Pt15 -1.309 -230 Cu19Pt5 -1.135 -231 Cu15Pt9 -1.872 -232 Cu21Pt3 -0.734 -233 Cu17Pt7 -1.956 -234 Cu12Pt12 -1.887 -235 Cu17Pt7 -1.531 -236 Cu14Pt10 -1.970 -237 Cu17Pt7 -1.788 -238 Cu11Pt13 -1.885 -239 Cu11Pt13 -1.970 -240 Cu10Pt14 -1.614 -241 Cu13Pt11 -1.278 -242 Cu24 -0.000 -243 Cu11Pt13 -1.735 -244 Cu18Pt6 -1.665 -245 Cu13Pt11 -1.754 -246 Cu21Pt3 -0.901 -247 Cu11Pt13 -1.960 -248 Cu11Pt13 -1.494 -249 Cu16Pt8 -1.772 -250 Cu5Pt19 -0.880 -251 Cu17Pt7 -1.547 -252 CuPt23 -0.224 -253 Cu11Pt13 -1.557 -254 Cu17Pt7 -1.662 -255 Cu12Pt12 -2.206 -256 Cu21Pt3 -0.993 -257 Cu12Pt12 -0.605 -258 Cu11Pt13 -2.086 -259 Cu6Pt18 -1.482 -260 Cu14Pt10 -1.952 -261 Cu12Pt12 -1.653 -262 Cu2Pt22 -0.577 -263 Cu13Pt11 -2.207 -264 Cu12Pt12 -1.700 -265 Cu5Pt19 -1.332 -266 Cu15Pt9 -1.869 -267 Pt24 0.000 -268 Cu19Pt5 -1.336 -269 Cu7Pt17 -1.461 -270 Cu20Pt4 -1.275 -271 Cu10Pt14 -1.849 -272 Cu13Pt11 -1.999 -273 Cu3Pt21 -0.643 -274 Cu8Pt16 -1.298 -275 Cu21Pt3 -0.784 -276 CuPt23 -0.224 -277 Cu16Pt8 -1.728 -278 Cu16Pt8 -1.864 -279 Cu6Pt18 -0.983 -280 Cu6Pt18 -1.386 -281 Cu8Pt16 -1.128 -282 Cu20Pt4 -1.291 -283 Cu7Pt17 -1.546 -284 Cu15Pt9 -2.000 -285 Cu22Pt2 -0.629 -286 Cu2Pt22 -0.709 -287 Cu14Pt10 -2.171 -288 Cu17Pt7 -1.749 -289 Cu9Pt15 -1.828 -290 Cu8Pt16 -1.468 -291 Cu10Pt14 -1.946 -292 Cu11Pt13 -2.024 -293 Cu4Pt20 -1.129 -294 Cu11Pt13 -1.372 -295 Cu13Pt11 -1.162 -296 Cu8Pt16 -1.753 -297 Cu19Pt5 -1.440 -298 Cu13Pt11 -1.815 -299 Cu12Pt12 -1.086 -300 Cu4Pt20 -0.982 -301 Cu14Pt10 -1.996 -302 Cu8Pt16 -1.586 -303 Cu6Pt18 -1.397 -304 Cu17Pt7 -0.803 -305 Cu8Pt16 -1.172 -306 Cu16Pt8 -1.303 -307 Cu4Pt20 -1.183 -308 Cu15Pt9 -1.680 -309 Cu8Pt16 -1.552 -310 Cu20Pt4 -1.221 -311 Cu5Pt19 -1.196 -312 Cu13Pt11 -1.433 -313 Cu20Pt4 -1.295 -314 Cu9Pt15 -1.722 -315 Cu5Pt19 -1.401 -316 Cu4Pt20 -1.078 -317 Cu2Pt22 -0.577 -318 Cu5Pt19 -1.145 -319 Cu14Pt10 -2.004 -320 Cu18Pt6 -1.216 -321 Cu16Pt8 -1.233 -322 Cu8Pt16 -1.761 -323 Cu3Pt21 -0.950 -324 Cu3Pt21 -0.823 -325 CuPt23 -0.224 -326 Cu18Pt6 -1.455 -327 Cu17Pt7 -1.482 -328 Cu16Pt8 -1.947 -329 Cu11Pt13 -1.992 -330 Cu8Pt16 -1.669 -331 Cu5Pt19 -1.253 -332 Cu10Pt14 -1.976 -333 Cu12Pt12 -2.261 -334 Cu8Pt16 -1.728 -335 Cu16Pt8 -1.810 -336 Cu19Pt5 -1.370 -337 Cu10Pt14 -1.939 -338 Cu11Pt13 -2.034 -339 Cu13Pt11 -1.978 -340 CuPt23 -0.336 -341 Cu12Pt12 -1.186 -342 Cu16Pt8 -0.206 -343 Cu2Pt22 -0.623 -344 Cu7Pt17 -1.366 -345 Cu13Pt11 -0.968 -346 Cu16Pt8 -1.978 -347 Cu2Pt22 -0.545 -348 Cu20Pt4 -1.165 -349 Cu3Pt21 -0.684 -350 Cu15Pt9 -1.699 -351 Cu4Pt20 -0.824 -352 Cu11Pt13 -2.047 -353 Cu5Pt19 -1.268 -354 Cu7Pt17 -1.535 -355 Cu17Pt7 -1.759 -356 Cu20Pt4 -1.238 -357 Cu12Pt12 -1.969 -358 Cu17Pt7 -1.678 -359 Cu7Pt17 -1.651 -360 Cu4Pt20 -1.049 -361 Cu15Pt9 -1.900 -362 Cu20Pt4 -1.238 -363 Cu4Pt20 -1.002 -364 Cu13Pt11 -2.207 -365 Pt24 0.000 -366 Cu16Pt8 -1.741 -367 Cu10Pt14 -1.886 -368 Cu21Pt3 -0.744 -369 Cu5Pt19 -1.307 -370 Cu13Pt11 -1.810 -371 Cu3Pt21 -0.729 -372 Cu7Pt17 -1.284 -373 Cu12Pt12 -2.197 -374 Cu9Pt15 -1.910 -375 Pt24 0.000 -376 Cu22Pt2 -0.624 -377 CuPt23 -0.336 -378 Cu4Pt20 -1.168 -379 Cu13Pt11 -2.019 -380 Cu8Pt16 -1.622 -381 Cu16Pt8 -1.661 -382 Cu22Pt2 -0.560 -383 Cu17Pt7 -1.956 -384 Cu6Pt18 -1.576 -385 Cu21Pt3 -0.732 -386 Cu23Pt -0.309 -387 Cu14Pt10 -0.864 -388 Cu18Pt6 -1.429 -389 Cu9Pt15 -1.733 -390 Cu19Pt5 -1.373 -391 Cu14Pt10 -1.149 -392 Cu20Pt4 -1.207 -393 Cu18Pt6 -1.629 -394 Cu20Pt4 -1.295 -395 Cu16Pt8 -1.450 -396 Cu14Pt10 -2.054 -397 CuPt23 -0.336 -398 Cu4Pt20 -1.107 -399 Cu19Pt5 -1.349 -400 Cu18Pt6 -1.639 -401 Cu20Pt4 -1.052 -402 Cu9Pt15 -1.964 -403 CuPt23 -0.224 -404 Cu12Pt12 -1.861 -405 Cu9Pt15 -1.951 -406 Cu7Pt17 -1.702 -407 Cu17Pt7 -1.807 -408 CuPt23 -0.224 -409 Cu4Pt20 -1.183 -410 Cu22Pt2 -0.627 -411 Cu5Pt19 -1.343 -412 Cu19Pt5 -1.513 -413 Cu10Pt14 -1.372 -414 Cu19Pt5 -1.077 -415 Cu8Pt16 -1.751 -416 Cu18Pt6 -1.393 -417 Cu13Pt11 -0.804 -418 Cu5Pt19 -1.298 -419 Cu9Pt15 -1.866 -420 Cu2Pt22 -0.545 -421 Cu10Pt14 -1.865 -422 Cu6Pt18 -1.547 -423 Cu11Pt13 -2.052 -424 Cu9Pt15 -1.900 -425 Cu6Pt18 -1.437 -426 Cu13Pt11 -1.959 -427 Cu17Pt7 -1.692 -428 Cu12Pt12 -2.096 -429 Cu13Pt11 -2.207 -430 Cu7Pt17 -1.636 -431 Cu15Pt9 -1.823 -432 Cu11Pt13 -2.097 -433 Cu17Pt7 -1.671 -434 Cu14Pt10 -1.824 -435 Cu22Pt2 -0.624 -436 Cu5Pt19 -1.344 -437 Cu13Pt11 -1.643 -438 Cu4Pt20 -0.800 -439 Cu6Pt18 -1.299 -440 Cu12Pt12 -1.067 -441 Cu22Pt2 -0.521 -442 Cu8Pt16 -1.636 -443 Cu19Pt5 -1.266 -444 Cu13Pt11 -1.716 -445 Cu19Pt5 -1.426 -446 Cu20Pt4 -1.155 -447 Cu11Pt13 -1.811 -448 Cu3Pt21 -0.796 -449 Cu24 -0.000 -450 Cu5Pt19 -1.254 -451 Cu14Pt10 -2.149 -452 Cu7Pt17 -1.753 -453 Cu9Pt15 -1.960 -454 Cu21Pt3 -0.854 -455 Cu14Pt10 -2.023 -456 Cu19Pt5 -1.362 -457 Cu4Pt20 -0.593 -458 Cu20Pt4 -1.267 -459 Cu11Pt13 -1.585 -460 Cu9Pt15 -1.667 -461 Cu4Pt20 -1.049 -462 Cu9Pt15 -1.742 -463 Cu10Pt14 -2.105 -464 Cu12Pt12 -2.169 -465 Cu9Pt15 -1.449 -466 Cu19Pt5 -1.584 -467 Cu13Pt11 -1.915 -468 Cu10Pt14 -1.858 -469 Cu4Pt20 -1.074 -470 Cu24 -0.000 -471 Cu3Pt21 -0.693 -472 Cu4Pt20 -0.939 -473 Cu21Pt3 -0.941 -474 Cu5Pt19 -1.341 -475 Cu2Pt22 -0.501 -476 Cu6Pt18 -1.478 -477 Cu8Pt16 -1.847 -478 Cu8Pt16 -1.764 -479 Cu21Pt3 -0.941 -480 Cu21Pt3 -1.060 -481 Cu14Pt10 -2.174 -482 Cu14Pt10 -2.098 -483 Cu12Pt12 -2.033 -484 Cu6Pt18 -1.436 -485 Cu11Pt13 -2.002 -486 Cu18Pt6 -1.534 -487 Cu14Pt10 -2.091 -488 Cu3Pt21 -0.796 -489 Cu5Pt19 -1.348 -490 Cu14Pt10 -1.906 -491 Cu14Pt10 -0.816 -492 Cu11Pt13 -1.338 -493 Cu14Pt10 -0.919 -494 Cu19Pt5 -1.426 -495 Cu4Pt20 -1.049 -496 Cu18Pt6 -1.641 -497 Cu23Pt -0.359 -498 Cu14Pt10 -1.214 -499 Cu15Pt9 -2.026 -500 Cu14Pt10 -2.204 -501 Cu22Pt2 -0.683 -502 Cu23Pt -0.309 -503 Cu7Pt17 -1.561 -504 Cu17Pt7 -1.156 -505 Cu7Pt17 -1.478 -506 Cu5Pt19 -1.125 -507 Cu17Pt7 -1.160 -508 Cu20Pt4 -1.354 -509 Cu8Pt16 -1.908 -510 Cu16Pt8 -1.930 -511 Cu17Pt7 -0.738 -512 Cu11Pt13 -1.856 -513 Cu15Pt9 -0.894 -514 Cu22Pt2 -0.612 -515 Cu12Pt12 -1.237 -516 Cu20Pt4 -0.916 -517 Cu13Pt11 -2.211 -518 Cu15Pt9 -1.966 -519 Cu7Pt17 -1.441 -520 Cu19Pt5 -1.369 -Simplices: 15 +2 CuPt23 -0.224 +3 Cu7Pt17 -1.672 +4 Cu10Pt14 -1.892 +5 Cu19Pt5 -1.091 +6 Cu3Pt21 -0.823 +7 Cu19Pt5 -1.195 +8 Cu11Pt13 -1.550 +9 Cu12Pt12 -1.964 +10 Cu16Pt8 -1.864 +11 Cu2Pt22 -0.449 +12 Cu9Pt15 -1.581 +13 Cu4Pt20 -0.769 +14 Cu17Pt7 -1.847 +15 CuPt23 -0.336 +16 Cu8Pt16 -1.134 +17 Cu15Pt9 -1.235 +18 Cu15Pt9 -1.599 +19 Cu23Pt -0.309 +20 Cu3Pt21 -0.759 +21 Cu2Pt22 -0.501 +22 Cu22Pt2 -0.521 +23 Cu11Pt13 -1.719 +24 Cu11Pt13 -1.802 +25 Cu14Pt10 -1.602 +26 Cu4Pt20 -0.973 +27 Cu20Pt4 -1.030 +28 Cu3Pt21 -0.729 +29 Cu13Pt11 -1.747 +30 Cu19Pt5 -1.211 +31 Cu2Pt22 -0.545 +32 Cu19Pt5 -1.019 +33 Cu5Pt19 -1.252 +34 Cu8Pt16 -1.714 +35 Cu15Pt9 -1.202 +36 CuPt23 -0.336 +37 Cu5Pt19 -1.372 +38 Cu16Pt8 -1.667 +39 Cu5Pt19 -0.771 +40 Cu6Pt18 -1.356 +41 Cu15Pt9 -1.440 +42 Cu8Pt16 -1.508 +43 Cu12Pt12 -2.102 +44 Cu9Pt15 -1.329 +45 Cu19Pt5 -1.203 +46 Cu2Pt22 -0.565 +47 Cu9Pt15 -1.626 +48 Cu15Pt9 -2.106 +49 Cu22Pt2 -0.624 +50 Cu11Pt13 -1.798 +51 Cu21Pt3 -0.823 +52 Cu7Pt17 -1.081 +53 Cu11Pt13 -1.739 +54 Cu7Pt17 -0.917 +55 Cu21Pt3 -0.732 +56 Cu13Pt11 -2.027 +57 Cu11Pt13 -1.862 +58 Cu10Pt14 -1.893 +59 Cu21Pt3 -0.802 +60 Cu17Pt7 -1.507 +61 Cu5Pt19 -1.195 +62 Cu22Pt2 -0.599 +63 Cu11Pt13 -1.746 +64 Cu6Pt18 -1.150 +65 Cu8Pt16 -1.767 +66 Cu18Pt6 -1.387 +67 Cu7Pt17 -1.428 +68 Cu6Pt18 -1.114 +69 Cu15Pt9 -1.008 +70 Cu21Pt3 -0.641 +71 Cu15Pt9 -1.743 +72 Cu9Pt15 -1.766 +73 Cu14Pt10 -2.089 +74 Cu12Pt12 -1.417 +75 Cu9Pt15 -1.358 +76 Cu14Pt10 -1.721 +77 Cu12Pt12 -1.642 +78 Cu23Pt -0.309 +79 Cu4Pt20 -0.800 +80 Cu19Pt5 -1.430 +81 Cu10Pt14 -1.095 +82 Cu8Pt16 -1.663 +83 Cu16Pt8 -1.770 +84 Cu12Pt12 -2.066 +85 Cu6Pt18 -1.294 +86 Cu11Pt13 -1.659 +87 Cu8Pt16 -1.578 +88 Cu8Pt16 -1.494 +89 Cu14Pt10 -1.960 +90 Cu15Pt9 -1.045 +91 Cu10Pt14 -1.005 +92 Cu10Pt14 -1.819 +93 Cu19Pt5 -1.211 +94 Cu6Pt18 -1.349 +95 Cu6Pt18 -1.497 +96 Cu19Pt5 -0.919 +97 Cu20Pt4 -1.037 +98 Cu22Pt2 -0.624 +99 CuPt23 -0.224 +100 Cu14Pt10 -2.147 +101 Cu9Pt15 -1.734 +102 Cu6Pt18 -1.380 +103 Cu12Pt12 -1.098 +104 Cu23Pt -0.309 +105 Cu13Pt11 -1.892 +106 Cu5Pt19 -1.285 +107 Cu15Pt9 -1.620 +108 Cu19Pt5 -0.980 +109 Cu16Pt8 -1.612 +110 Cu9Pt15 -1.451 +111 Cu5Pt19 -1.151 +112 Cu21Pt3 -0.699 +113 Cu22Pt2 -0.625 +114 Cu9Pt15 -1.751 +115 Cu17Pt7 -1.451 +116 CuPt23 -0.336 +117 Cu7Pt17 -1.641 +118 Cu13Pt11 -1.869 +119 Cu15Pt9 -1.797 +120 Cu24 0.000 +121 Cu7Pt17 -1.545 +122 Cu9Pt15 -1.748 +123 Cu21Pt3 -1.020 +124 Cu13Pt11 -2.113 +125 Cu22Pt2 -0.560 +126 Cu13Pt11 -1.509 +127 Cu9Pt15 -1.597 +128 CuPt23 -0.336 +129 Pt24 0.000 +130 Cu10Pt14 -1.799 +131 Cu19Pt5 -1.353 +132 Cu4Pt20 -1.120 +133 Cu11Pt13 -1.653 +134 Cu10Pt14 -2.043 +135 Cu11Pt13 -1.622 +136 Cu16Pt8 -1.612 +137 Cu13Pt11 -2.056 +138 Cu24 -0.000 +139 Cu16Pt8 -1.277 +140 Cu13Pt11 -0.413 +141 Cu20Pt4 -1.173 +142 Cu17Pt7 -0.689 +143 Cu22Pt2 -0.565 +144 Cu3Pt21 -0.872 +145 Cu9Pt15 -1.858 +146 Cu4Pt20 -1.189 +147 Cu2Pt22 -0.623 +148 Cu8Pt16 -1.503 +149 Cu13Pt11 -2.156 +150 Cu21Pt3 -0.734 +151 Cu19Pt5 -1.185 +152 Cu11Pt13 -1.713 +153 Cu14Pt10 -2.099 +154 Cu3Pt21 -0.742 +155 Cu23Pt -0.309 +156 Cu15Pt9 -1.924 +157 Cu16Pt8 -1.194 +158 Cu9Pt15 -1.232 +159 Cu6Pt18 -1.454 +160 Cu13Pt11 -2.088 +161 Cu14Pt10 -2.034 +162 Cu8Pt16 -1.790 +163 Cu20Pt4 -1.211 +164 Cu22Pt2 -0.683 +165 Cu6Pt18 -1.406 +166 Cu19Pt5 -1.070 +167 Cu15Pt9 -1.941 +168 Cu16Pt8 -1.464 +169 Cu14Pt10 -1.461 +170 Cu2Pt22 -0.449 +171 Cu14Pt10 -1.848 +172 Cu17Pt7 -1.696 +173 Cu17Pt7 -1.426 +174 Cu22Pt2 -0.615 +175 Cu5Pt19 -1.288 +176 Cu9Pt15 -0.832 +177 Cu22Pt2 -0.629 +178 Cu3Pt21 -0.809 +179 Cu7Pt17 -1.454 +180 Cu13Pt11 -2.111 +181 Cu5Pt19 -1.372 +182 Cu16Pt8 -1.736 +183 Cu17Pt7 -1.712 +184 Cu15Pt9 -1.742 +185 Cu3Pt21 -0.876 +186 Cu8Pt16 -1.569 +187 Cu16Pt8 -1.446 +188 Cu23Pt -0.309 +189 Cu18Pt6 -1.083 +190 Cu9Pt15 -1.366 +191 Cu11Pt13 -1.919 +192 Cu6Pt18 -1.438 +193 Cu8Pt16 -1.638 +194 Cu19Pt5 -1.183 +195 Cu20Pt4 -1.256 +196 Cu7Pt17 -0.712 +197 Cu13Pt11 -1.570 +198 Cu16Pt8 -1.863 +199 Cu15Pt9 -1.828 +200 Cu12Pt12 -1.892 +201 Cu21Pt3 -0.993 +202 Cu13Pt11 -1.252 +203 Cu9Pt15 -1.748 +204 Cu14Pt10 -2.059 +205 Cu3Pt21 -0.721 +206 Cu8Pt16 -1.627 +207 Cu23Pt -0.359 +208 Cu6Pt18 -1.113 +209 Cu18Pt6 -1.320 +210 Cu15Pt9 -1.993 +211 Cu13Pt11 -1.740 +212 Cu7Pt17 -1.382 +213 Cu11Pt13 -1.883 +214 Cu13Pt11 -1.915 +215 Cu10Pt14 -1.509 +216 Cu16Pt8 -1.835 +217 Cu19Pt5 -1.272 +218 Cu3Pt21 -0.801 +219 Cu13Pt11 -1.894 +220 Cu21Pt3 -0.851 +221 Cu19Pt5 -1.369 +222 Cu18Pt6 -1.492 +223 Cu20Pt4 -0.913 +224 Cu15Pt9 -1.292 +225 Cu9Pt15 -1.355 +226 Cu5Pt19 -1.200 +227 Cu14Pt10 -2.130 +228 Cu19Pt5 -1.474 +229 Cu9Pt15 -1.849 +230 Cu15Pt9 -1.482 +231 Cu15Pt9 -1.477 +232 Cu5Pt19 -1.182 +233 Cu8Pt16 -1.837 +234 Cu19Pt5 -1.377 +235 Cu6Pt18 -1.516 +236 Cu20Pt4 -1.218 +237 Cu3Pt21 -0.812 +238 Cu5Pt19 -1.307 +239 Cu7Pt17 -1.428 +240 Cu9Pt15 -1.550 +241 Cu15Pt9 -1.788 +242 Cu17Pt7 -1.605 +243 Cu17Pt7 -1.789 +244 Cu6Pt18 -1.456 +245 Pt24 -0.000 +246 Cu6Pt18 -1.476 +247 Cu14Pt10 -1.382 +248 Cu8Pt16 -1.331 +249 Cu11Pt13 -1.883 +250 Cu16Pt8 -1.828 +251 Cu19Pt5 -1.411 +252 Cu6Pt18 -1.474 +253 Cu10Pt14 -1.402 +254 Cu7Pt17 -1.558 +255 Cu3Pt21 -0.946 +256 Cu16Pt8 -1.896 +257 Cu20Pt4 -1.231 +258 Cu19Pt5 -1.328 +259 Cu8Pt16 -1.638 +260 Cu2Pt22 -0.541 +261 Cu11Pt13 -1.243 +262 Cu14Pt10 -2.106 +263 Cu11Pt13 -1.924 +264 Cu7Pt17 -1.603 +265 Cu22Pt2 -0.565 +266 Cu17Pt7 -1.541 +267 Cu17Pt7 -1.342 +268 Cu12Pt12 -2.157 +269 Cu6Pt18 -1.546 +270 Cu11Pt13 -1.937 +271 Cu20Pt4 -1.197 +272 Cu20Pt4 -1.169 +273 Cu16Pt8 -1.656 +274 Cu23Pt -0.309 +275 Cu2Pt22 -0.501 +276 Cu2Pt22 -0.565 +277 Cu13Pt11 -1.401 +278 Cu13Pt11 -1.173 +279 Cu3Pt21 -0.727 +280 Cu7Pt17 -1.549 +281 Cu12Pt12 -2.089 +282 Cu20Pt4 -1.285 +283 Cu21Pt3 -0.919 +284 Cu8Pt16 -1.566 +285 Cu8Pt16 -1.418 +286 Cu15Pt9 -1.451 +287 Cu19Pt5 -0.718 +288 Cu20Pt4 -0.939 +289 Cu6Pt18 -1.104 +290 Cu13Pt11 -1.996 +291 Cu16Pt8 -1.743 +292 Cu21Pt3 -0.993 +293 Cu14Pt10 -1.539 +294 Cu18Pt6 -1.516 +295 Cu23Pt -0.309 +296 Cu21Pt3 -0.895 +297 Cu9Pt15 -1.601 +298 Cu15Pt9 -1.974 +299 Cu19Pt5 -1.308 +300 Cu8Pt16 -1.578 +301 Cu4Pt20 -1.116 +302 Cu22Pt2 -0.521 +303 Cu5Pt19 -1.307 +304 Cu5Pt19 -1.166 +305 Cu17Pt7 -0.695 +306 Cu14Pt10 -1.781 +307 Cu5Pt19 -1.312 +308 Cu12Pt12 -1.441 +309 Cu4Pt20 -1.113 +310 Cu13Pt11 -0.834 +311 Cu19Pt5 -1.149 +312 Cu17Pt7 -1.570 +313 Cu17Pt7 -1.609 +314 Cu16Pt8 -1.907 +315 Cu14Pt10 -1.778 +316 Cu23Pt -0.309 +317 Cu23Pt -0.359 +318 Cu18Pt6 -1.241 +319 Cu20Pt4 -1.197 +320 Cu16Pt8 -1.870 +321 Cu12Pt12 -2.177 +322 Cu18Pt6 -1.727 +323 Cu8Pt16 -1.519 +324 Cu9Pt15 -1.981 +325 Cu14Pt10 -1.968 +326 Cu5Pt19 -0.878 +327 Cu20Pt4 -0.924 +328 Cu5Pt19 -1.372 +329 Cu3Pt21 -0.605 +330 Cu6Pt18 -0.966 +331 Cu3Pt21 -0.770 +332 Cu2Pt22 -0.541 +333 Cu11Pt13 -1.924 +334 Cu13Pt11 -1.716 +335 Cu5Pt19 -1.306 +336 CuPt23 -0.336 +337 Cu11Pt13 -1.585 +338 Cu9Pt15 -2.020 +339 Cu6Pt18 -1.228 +340 Cu20Pt4 -1.191 +341 Cu11Pt13 -1.928 +342 Cu7Pt17 -1.743 +343 Cu16Pt8 -1.933 +344 Cu16Pt8 -1.870 +345 Cu6Pt18 -1.466 +346 Cu20Pt4 -1.149 +347 Cu16Pt8 -1.906 +348 Cu7Pt17 -1.697 +349 Cu19Pt5 -1.327 +350 Cu11Pt13 -1.842 +351 Cu9Pt15 -1.674 +352 Cu10Pt14 -1.838 +353 Cu18Pt6 -1.623 +354 Cu15Pt9 -1.188 +355 Cu3Pt21 -0.872 +356 Cu8Pt16 -1.312 +357 Cu9Pt15 -1.979 +358 Cu4Pt20 -1.065 +359 Cu8Pt16 -1.666 +360 Cu19Pt5 -1.315 +361 Cu16Pt8 -1.911 +362 Cu11Pt13 -1.730 +363 Cu16Pt8 -0.206 +364 Cu16Pt8 -1.838 +365 Cu16Pt8 -1.947 +366 Cu14Pt10 -1.718 +367 Cu16Pt8 -1.870 +368 Cu17Pt7 -1.843 +369 Cu14Pt10 -2.082 +370 Cu13Pt11 -1.664 +371 Cu6Pt18 -1.474 +372 Cu18Pt6 -1.661 +373 Cu5Pt19 -1.246 +374 Cu17Pt7 -1.683 +375 Cu18Pt6 -1.373 +376 Cu8Pt16 -1.824 +377 Cu18Pt6 -1.456 +378 Cu12Pt12 -1.446 +379 Cu20Pt4 -1.230 +380 Cu7Pt17 -1.487 +381 Cu12Pt12 -1.489 +382 Cu8Pt16 -1.138 +383 Cu21Pt3 -0.933 +384 Cu18Pt6 -1.418 +385 Cu21Pt3 -1.021 +386 Cu22Pt2 -0.683 +387 Cu8Pt16 -1.671 +388 Cu17Pt7 -1.459 +389 Cu13Pt11 -2.007 +390 Cu15Pt9 -2.047 +391 Cu19Pt5 -1.254 +392 Cu12Pt12 -1.992 +393 Cu16Pt8 -1.567 +394 Cu21Pt3 -0.895 +395 Cu18Pt6 -1.596 +396 Cu14Pt10 -2.072 +397 Cu18Pt6 -1.075 +398 Cu8Pt16 -1.686 +399 Cu9Pt15 -1.783 +400 Cu7Pt17 -1.393 +401 Cu15Pt9 -1.698 +402 Cu23Pt -0.309 +403 Cu11Pt13 -1.882 +404 Cu2Pt22 -0.709 +405 Cu19Pt5 -1.158 +406 Cu22Pt2 -0.521 +407 Cu12Pt12 -1.788 +408 Cu17Pt7 -1.221 +409 Cu6Pt18 -1.444 +410 CuPt23 -0.336 +411 Cu16Pt8 -1.680 +412 Cu17Pt7 -1.651 +413 Cu8Pt16 -1.284 +414 Cu15Pt9 -2.122 +415 Cu9Pt15 -1.631 +416 Cu6Pt18 -1.384 +417 Cu14Pt10 -2.027 +418 Cu15Pt9 -2.068 +419 Cu6Pt18 -1.357 +420 Cu2Pt22 -0.565 +421 Cu4Pt20 -0.855 +422 Cu7Pt17 -1.534 +423 Cu14Pt10 -1.660 +424 Cu6Pt18 -1.361 +425 Cu11Pt13 -2.070 +426 Cu13Pt11 -1.874 +427 Cu20Pt4 -1.222 +428 Cu8Pt16 -1.792 +429 Cu3Pt21 -0.774 +430 Cu10Pt14 -2.002 +431 Cu12Pt12 -2.075 +432 Cu17Pt7 -1.832 +433 Cu23Pt -0.359 +434 Cu8Pt16 -1.138 +435 Cu8Pt16 -1.752 +436 Cu14Pt10 -2.088 +437 Cu10Pt14 -1.777 +438 Cu19Pt5 -1.331 +439 Cu9Pt15 -1.974 +440 Cu15Pt9 -1.924 +441 Cu19Pt5 -1.385 +442 Cu13Pt11 -2.156 +443 Cu13Pt11 -2.054 +444 Cu13Pt11 -1.485 +445 Cu13Pt11 -2.091 +446 Cu9Pt15 -1.865 +447 Cu11Pt13 -1.241 +448 Cu8Pt16 -1.743 +449 Cu21Pt3 -1.021 +450 Cu17Pt7 -1.942 +451 Cu2Pt22 -0.565 +452 Cu16Pt8 -1.794 +453 Cu7Pt17 -1.632 +454 Cu15Pt9 -1.917 +455 Cu11Pt13 -1.894 +456 Cu19Pt5 -1.451 +457 Cu16Pt8 -1.441 +458 Cu13Pt11 -2.123 +459 Cu17Pt7 -1.771 +460 Cu8Pt16 -1.519 +461 Cu20Pt4 -1.072 +462 Cu5Pt19 -1.296 +463 Cu13Pt11 -1.641 +464 Cu12Pt12 -1.404 +465 Cu2Pt22 -0.577 +466 Cu21Pt3 -0.903 +467 Cu7Pt17 -1.668 +468 Cu4Pt20 -0.750 +469 Cu17Pt7 -1.657 +470 Cu7Pt17 -1.741 +471 Cu14Pt10 -1.978 +472 Cu13Pt11 -1.551 +473 Cu22Pt2 -0.683 +474 Cu21Pt3 -0.912 +475 Cu9Pt15 -1.481 +476 Cu9Pt15 -2.077 +477 Cu7Pt17 -1.653 +478 Cu19Pt5 -1.484 +479 Cu5Pt19 -1.316 +480 Cu8Pt16 -1.515 +481 Cu16Pt8 -1.811 +482 Cu18Pt6 -1.604 +483 Cu3Pt21 -0.850 +484 Cu17Pt7 -0.436 +485 Cu15Pt9 -1.554 +486 CuPt23 -0.224 +487 Cu20Pt4 -1.066 +488 Cu7Pt17 -1.604 +489 Cu5Pt19 -1.306 +490 Cu6Pt18 -1.197 +491 Cu15Pt9 -1.811 +492 Cu15Pt9 -2.033 +493 Cu19Pt5 -1.481 +494 Cu8Pt16 -1.715 +495 Cu10Pt14 -2.035 +496 Cu3Pt21 -0.735 +497 Cu15Pt9 -1.624 +498 Cu16Pt8 -1.586 +499 Cu7Pt17 -1.743 +500 Cu9Pt15 -1.691 +501 Cu3Pt21 -0.721 +502 CuPt23 -0.336 +503 Cu13Pt11 -2.204 +504 Cu11Pt13 -1.910 +505 Cu21Pt3 -0.732 +506 Cu4Pt20 -1.138 +507 Cu15Pt9 -1.933 +508 Cu23Pt -0.309 +509 Cu6Pt18 -1.323 +510 Cu16Pt8 -1.700 +511 Cu18Pt6 -1.555 +512 Cu17Pt7 -1.882 +513 Cu12Pt12 -1.469 +514 Cu11Pt13 -2.026 +515 Cu22Pt2 -0.521 +516 Cu20Pt4 -1.099 +517 Cu15Pt9 -1.953 +518 Cu21Pt3 -0.823 +519 Cu5Pt19 -1.403 +520 Cu18Pt6 -1.385 +521 Cu12Pt12 -2.138 +522 Cu4Pt20 -1.189 +523 Cu17Pt7 -1.748 +Simplices: 14 ./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] 17:06:23 3.323870* 0.2462 -BFGSLineSearch: 1[ 1] 17:06:23 3.314754* 0.0378 +BFGSLineSearch: 0[ 0] 18:52:03 3.323870* 0.2462 +BFGSLineSearch: 1[ 1] 18:52:03 3.314754* 0.0378 Step[ FC] Time Energy fmax *Force-consistent energies used in optimization. -BFGSLineSearch: 0[ 0] 17:06:23 3.320051* 0.1208 -BFGSLineSearch: 1[ 1] 17:06:23 3.316117* 0.0474 +BFGSLineSearch: 0[ 0] 18:52:03 3.320051* 0.1208 +BFGSLineSearch: 1[ 1] 18:52:03 3.316117* 0.0474 Step Time Energy fmax -BFGS: 0 17:06:23 4.219952 3.5208 -BFGS: 1 17:06:23 3.937039 2.1765 -BFGS: 2 17:06:23 3.719814 0.4351 -BFGS: 3 17:06:23 3.709652 0.2301 -BFGS: 4 17:06:23 3.708879 0.2441 -BFGS: 5 17:06:23 3.706088 0.2577 -BFGS: 6 17:06:23 3.698532 0.2134 -BFGS: 7 17:06:23 3.692121 0.2462 -BFGS: 8 17:06:23 3.692274 0.1873 -BFGS: 9 17:06:23 3.693484 0.1727 -BFGS: 10 17:06:23 3.692659 0.1514 -BFGS: 11 17:06:23 3.690809 0.0736 -BFGS: 12 17:06:23 3.690202 0.0708 -BFGS: 13 17:06:23 3.690382 0.0782 -BFGS: 14 17:06:23 3.690426 0.1034 -BFGS: 15 17:06:23 3.689890 0.0998 -BFGS: 16 17:06:23 3.689029 0.0543 -BFGS: 17 17:06:24 3.688737 0.0289 +BFGS: 0 18:52:03 4.219952 3.5208 +BFGS: 1 18:52:03 3.937039 2.1765 +BFGS: 2 18:52:03 3.719814 0.4351 +BFGS: 3 18:52:04 3.709652 0.2301 +BFGS: 4 18:52:04 3.708879 0.2441 +BFGS: 5 18:52:04 3.706088 0.2577 +BFGS: 6 18:52:04 3.698532 0.2134 +BFGS: 7 18:52:04 3.692121 0.2462 +BFGS: 8 18:52:04 3.692274 0.1873 +BFGS: 9 18:52:04 3.693484 0.1727 +BFGS: 10 18:52:04 3.692659 0.1514 +BFGS: 11 18:52:04 3.690809 0.0736 +BFGS: 12 18:52:04 3.690202 0.0708 +BFGS: 13 18:52:04 3.690382 0.0782 +BFGS: 14 18:52:04 3.690426 0.1034 +BFGS: 15 18:52:04 3.689890 0.0998 +BFGS: 16 18:52:04 3.689029 0.0543 +BFGS: 17 18:52:04 3.688737 0.0289 Step Time Energy fmax -BFGS: 0 17:06:24 3.688737 0.0289 -BFGS: 1 17:06:24 3.688734 0.0265 -BFGS: 2 17:06:24 3.688730 0.0240 -BFGS: 3 17:06:24 3.688729 0.0239 -BFGS: 4 17:06:24 3.688718 0.0122 -BFGS: 5 17:06:24 3.688718 0.0086 -BFGS: 6 17:06:24 3.688718 0.0095 -BFGS: 7 17:06:24 3.688718 0.0097 -BFGS: 8 17:06:24 3.688716 0.0097 -BFGS: 9 17:06:24 3.688714 0.0087 -BFGS: 10 17:06:24 3.688714 0.0062 -BFGS: 11 17:06:24 3.688714 0.0053 -BFGS: 12 17:06:24 3.688714 0.0053 -BFGS: 13 17:06:24 3.688714 0.0066 -BFGS: 14 17:06:24 3.688715 0.0088 -BFGS: 15 17:06:24 3.688723 0.0109 -BFGS: 16 17:06:24 3.688733 0.0157 -BFGS: 17 17:06:24 3.688732 0.0153 -BFGS: 18 17:06:24 3.688722 0.0100 -BFGS: 19 17:06:24 3.688716 0.0050 -BFGS: 20 17:06:24 3.688716 0.0034 +BFGS: 0 18:52:04 3.688737 0.0289 +BFGS: 1 18:52:04 3.688734 0.0265 +BFGS: 2 18:52:04 3.688730 0.0240 +BFGS: 3 18:52:04 3.688729 0.0239 +BFGS: 4 18:52:04 3.688718 0.0122 +BFGS: 5 18:52:04 3.688718 0.0086 +BFGS: 6 18:52:05 3.688718 0.0095 +BFGS: 7 18:52:05 3.688718 0.0097 +BFGS: 8 18:52:05 3.688716 0.0097 +BFGS: 9 18:52:05 3.688714 0.0087 +BFGS: 10 18:52:05 3.688714 0.0062 +BFGS: 11 18:52:05 3.688714 0.0053 +BFGS: 12 18:52:05 3.688714 0.0053 +BFGS: 13 18:52:05 3.688714 0.0066 +BFGS: 14 18:52:05 3.688715 0.0088 +BFGS: 15 18:52:05 3.688723 0.0109 +BFGS: 16 18:52:05 3.688733 0.0157 +BFGS: 17 18:52:05 3.688732 0.0153 +BFGS: 18 18:52:05 3.688722 0.0100 +BFGS: 19 18:52:05 3.688716 0.0050 +BFGS: 20 18:52:05 3.688716 0.0034 ./doc/tutorials/neb diffusion-I.png ./doc/tutorials/neb diffusion-T.png ./doc/tutorials/neb diffusion-F.png @@ -16052,9 +16091,9 @@ 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')) 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 writing output... building [html]: targets for 168 source files that are out of date @@ -16143,10 +16182,10 @@ 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/eu/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/es/LC_MESSAGES/ag.mo - Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/en_GB/LC_MESSAGES/ag.mo Normalized debian/python3-ase/usr/lib/python3/dist-packages/ase/gui/po/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/es/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 @@ -16164,12 +16203,14 @@ 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/946365/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/946365/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/3907735 and its subdirectories -I: Current time: Tue Jun 3 17:07:44 -12 2025 -I: pbuilder-time-stamp: 1749013664 +I: removing directory /srv/workspace/pbuilder/946365 and its subdirectories +I: Current time: Wed Jun 4 18:53:21 +14 2025 +I: pbuilder-time-stamp: 1749012801