Start: 2023-08-19 13:07:09 GMT [buster] Package: nwchem Version: 6.8.1-5 Installed-Size: 68701 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.8.1-5), libblas3 | libblas.so.3, libc6 (>= 2.28), libgcc1 (>= 1:4.0), libgfortran5 (>= 8), liblapack3 | liblapack.so.3, libopenmpi3, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), libscalapack-openmpi2.0, zlib1g (>= 1:1.2.0) Description: High-performance computational chemistry software Homepage: http://www.nwchem-sw.org Description-md5: 899a9172099bec4f0f9b7a3cd72a69ce Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.8.1-5_amd64.deb Size: 13932896 MD5sum: 0af2beb23ce9f761c022f5cedead2824 SHA256: 6fe4ab009267713bb23406924e0c1a013484f0a5ace275828cccc0724473d7ef [buster-next] Package: nwchem Version: 6.8.1-5 Installed-Size: 68701 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.8.1-5), libblas3 | libblas.so.3, libc6 (>= 2.28), libgcc1 (>= 1:4.0), libgfortran5 (>= 8), liblapack3 | liblapack.so.3, libopenmpi3, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), libscalapack-openmpi2.0, zlib1g (>= 1:1.2.0) Description: High-performance computational chemistry software Homepage: http://www.nwchem-sw.org Description-md5: 899a9172099bec4f0f9b7a3cd72a69ce Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.8.1-5_amd64.deb Size: 13932896 MD5sum: 0af2beb23ce9f761c022f5cedead2824 SHA256: 6fe4ab009267713bb23406924e0c1a013484f0a5ace275828cccc0724473d7ef Executing: sudo env PYTHONPATH=/srv/piuparts.debian.org/lib/python3/dist-packages timeout -s INT -k 5m 80m /srv/piuparts.debian.org/sbin/piuparts --scriptsdir /etc/piuparts/scripts --no-eatmydata --allow-database --warn-on-leftovers-after-purge --warn-on-debsums-errors --mirror 'http://deb.debian.org/debian/ main' --tmpdir /srv/piuparts.debian.org/tmp --arch amd64 -b /srv/piuparts.debian.org/slave/basetgz/buster_amd64.tar.gz -d buster -d buster-next -B /srv/piuparts.debian.org/slave/refchroot/buster2next/reference-chroot-metadata.dat --apt nwchem=6.8.1-5 0m0.0s INFO: ------------------------------------------------------------------------------ 0m0.0s INFO: To quickly glance what went wrong, scroll down to the bottom of this logfile. 0m0.0s INFO: FAQ available at https://wiki.debian.org/piuparts/FAQ 0m0.0s INFO: The FAQ also explains how to contact us in case you think piuparts is wrong. 0m0.0s INFO: ------------------------------------------------------------------------------ 0m0.0s INFO: piuparts version 1.1.8~202306121314~1.1.7-9-g57dfbde6 starting up. 0m0.0s INFO: Command line arguments: /srv/piuparts.debian.org/sbin/piuparts --scriptsdir /etc/piuparts/scripts --no-eatmydata --allow-database --warn-on-leftovers-after-purge --warn-on-debsums-errors --mirror 'http://deb.debian.org/debian/ main' --tmpdir /srv/piuparts.debian.org/tmp --arch amd64 -b /srv/piuparts.debian.org/slave/basetgz/buster_amd64.tar.gz -d buster -d buster-next -B /srv/piuparts.debian.org/slave/refchroot/buster2next/reference-chroot-metadata.dat --apt nwchem=6.8.1-5 0m0.0s INFO: Running on: Linux piu-slave-conova-01 5.10.0-25-amd64 #1 SMP Debian 5.10.191-1 (2023-08-16) x86_64 0m0.0s DEBUG: Created temporary directory /srv/piuparts.debian.org/tmp/tmpi1ra0cy_ 0m0.0s DEBUG: Unpacking /srv/piuparts.debian.org/slave/basetgz/buster_amd64.tar.gz into /srv/piuparts.debian.org/tmp/tmpi1ra0cy_ 0m0.0s DEBUG: Starting command: ['tar', '-C', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', '-zxf', '/srv/piuparts.debian.org/slave/basetgz/buster_amd64.tar.gz'] 0m2.5s DEBUG: Command ok: ['tar', '-C', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', '-zxf', '/srv/piuparts.debian.org/slave/basetgz/buster_amd64.tar.gz'] 0m2.5s DEBUG: Starting command: ['mount', '-t', 'proc', 'proc', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/proc'] 0m2.5s DEBUG: Command ok: ['mount', '-t', 'proc', 'proc', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/proc'] 0m2.5s DEBUG: Starting command: ['mount', '-t', 'devpts', '-o', 'newinstance,noexec,nosuid,gid=5,mode=0620,ptmxmode=0666', 'devpts', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/pts'] 0m2.5s DEBUG: Command ok: ['mount', '-t', 'devpts', '-o', 'newinstance,noexec,nosuid,gid=5,mode=0620,ptmxmode=0666', 'devpts', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/pts'] 0m2.5s DEBUG: Starting command: ['mount', '-o', 'bind', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/pts/ptmx', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/ptmx'] 0m2.5s DEBUG: Command ok: ['mount', '-o', 'bind', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/pts/ptmx', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/ptmx'] 0m2.5s DEBUG: Starting command: ['mount', '-o', 'bind', '/dev/pts/1', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/console'] 0m2.5s DEBUG: Command ok: ['mount', '-o', 'bind', '/dev/pts/1', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/console'] 0m2.5s DEBUG: Starting command: ['mount', '-t', 'tmpfs', '-o', 'size=65536k', 'tmpfs', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/shm'] 0m2.5s DEBUG: Command ok: ['mount', '-t', 'tmpfs', '-o', 'size=65536k', 'tmpfs', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/shm'] 0m2.5s DEBUG: sources.list: deb http://deb.debian.org/debian/ buster main 0m2.5s DEBUG: Created policy-rc.d and chmodded it. 0m2.5s DEBUG: Created resolv.conf. 0m2.5s DEBUG: Copying scriptsdir /etc/piuparts/scripts to /srv/piuparts.debian.org/tmp/tmpi1ra0cy_/tmp/scripts/ 0m2.5s INFO: Running scripts post_chroot_unpack 0m2.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_chroot_unpack_allow_unauthenticated'] 0m2.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_chroot_unpack_allow_unauthenticated'] 0m2.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'update'] 0m3.8s DUMP: Hit:1 http://deb.debian.org/debian buster InRelease Reading package lists... 0m3.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'update'] 0m3.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-yf', 'dist-upgrade'] 0m4.2s DUMP: Reading package lists... Building dependency tree... Calculating upgrade... 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 0m4.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-yf', 'dist-upgrade'] 0m4.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m4.7s DUMP: f6fc0f2636004ef589309651dfd778f4 - 0m4.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m4.7s INFO: Running scripts post_setup 0m4.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_dummy_users'] 0m6.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_dummy_users'] 0m6.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_forbid_home'] 0m6.0s DUMP: Disabling /home Adding 'local diversion of /home to /home.distrib' 0m6.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_forbid_home'] 0m6.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_force-unsafe-io'] 0m6.0s DUMP: Enabling dpkg --force-unsafe-io. Adding 'local diversion of /bin/sync to /bin/sync.distrib' dpkg-divert: warning: diverting file '/bin/sync' from an Essential package with rename is dangerous, use --no-rename '/bin/sync' -> 'true' 0m6.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_force-unsafe-io'] 0m6.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_minimize'] 0m6.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_minimize'] 0m6.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_squeeze-backports'] 0m6.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_squeeze-backports'] 0m6.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_zz_backports'] 0m6.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_setup_zz_backports'] 0m6.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m6.1s DUMP: install ok installed adduser adduser 3.118 install ok installed apt apt 1.8.2.3 install ok installed base-files base-files 10.3+deb10u13 install ok installed base-passwd base-passwd 3.5.46 install ok installed bash bash 5.0-4 install ok installed bsdutils bsdutils 1:2.33.1-0.1 install ok installed coreutils coreutils 8.30-3 install ok installed dash dash 0.5.10.2-5 install ok installed debconf debconf 1.5.71+deb10u1 install ok installed debian-archive-keyring debian-archive-keyring 2019.1+deb10u1 install ok installed debianutils debianutils 4.8.6.1 install ok installed diffutils diffutils 1:3.7-3 install ok installed dpkg dpkg 1.19.8 install ok installed e2fsprogs e2fsprogs 1.44.5-1+deb10u3 install ok installed fdisk fdisk 2.33.1-0.1 install ok installed findutils findutils 4.6.0+git+20190209-2 install ok installed gcc-8-base:amd64 gcc-8-base 8.3.0-6 install ok installed gpgv gpgv 2.2.12-1+deb10u2 install ok installed grep grep 3.3-1 install ok installed gzip gzip 1.9-3+deb10u1 install ok installed hostname hostname 3.21 install ok installed init-system-helpers init-system-helpers 1.56+nmu1 install ok installed libacl1:amd64 libacl1 2.2.53-4 install ok installed libapt-pkg5.0:amd64 libapt-pkg5.0 1.8.2.3 install ok installed libattr1:amd64 libattr1 1:2.4.48-4 install ok installed libaudit-common libaudit-common 1:2.8.4-3 install ok installed libaudit1:amd64 libaudit1 1:2.8.4-3 install ok installed libblkid1:amd64 libblkid1 2.33.1-0.1 install ok installed libbz2-1.0:amd64 libbz2-1.0 1.0.6-9.2~deb10u1 install ok installed libc-bin libc-bin 2.28-10+deb10u1 install ok installed libc6:amd64 libc6 2.28-10+deb10u1 install ok installed libcap-ng0:amd64 libcap-ng0 0.7.9-2 install ok installed libcom-err2:amd64 libcom-err2 1.44.5-1+deb10u3 install ok installed libdb5.3:amd64 libdb5.3 5.3.28+dfsg1-0.5 install ok installed libdebconfclient0:amd64 libdebconfclient0 0.249 install ok installed libext2fs2:amd64 libext2fs2 1.44.5-1+deb10u3 install ok installed libfdisk1:amd64 libfdisk1 2.33.1-0.1 install ok installed libffi6:amd64 libffi6 3.2.1-9 install ok installed libgcc1:amd64 libgcc1 1:8.3.0-6 install ok installed libgcrypt20:amd64 libgcrypt20 1.8.4-5+deb10u1 install ok installed libgmp10:amd64 libgmp10 2:6.1.2+dfsg-4+deb10u1 install ok installed libgnutls30:amd64 libgnutls30 3.6.7-4+deb10u8 install ok installed libgpg-error0:amd64 libgpg-error0 1.35-1 install ok installed libhogweed4:amd64 libhogweed4 3.4.1-1+deb10u1 install ok installed libidn2-0:amd64 libidn2-0 2.0.5-1+deb10u1 install ok installed liblz4-1:amd64 liblz4-1 1.8.3-1+deb10u1 install ok installed liblzma5:amd64 liblzma5 5.2.4-1+deb10u1 install ok installed libmount1:amd64 libmount1 2.33.1-0.1 install ok installed libncursesw6:amd64 libncursesw6 6.1+20181013-2+deb10u2 install ok installed libnettle6:amd64 libnettle6 3.4.1-1+deb10u1 install ok installed libp11-kit0:amd64 libp11-kit0 0.23.15-2+deb10u1 install ok installed libpam-modules:amd64 libpam-modules 1.3.1-5 install ok installed libpam-modules-bin libpam-modules-bin 1.3.1-5 install ok installed libpam-runtime libpam-runtime 1.3.1-5 install ok installed libpam0g:amd64 libpam0g 1.3.1-5 install ok installed libpcre3:amd64 libpcre3 2:8.39-12 install ok installed libseccomp2:amd64 libseccomp2 2.3.3-4 install ok installed libselinux1:amd64 libselinux1 2.8-1+b1 install ok installed libsemanage-common libsemanage-common 2.8-2 install ok installed libsemanage1:amd64 libsemanage1 2.8-2 install ok installed libsepol1:amd64 libsepol1 2.8-1 install ok installed libsmartcols1:amd64 libsmartcols1 2.33.1-0.1 install ok installed libss2:amd64 libss2 1.44.5-1+deb10u3 install ok installed libstdc++6:amd64 libstdc++6 8.3.0-6 install ok installed libsystemd0:amd64 libsystemd0 241-7~deb10u8 install ok installed libtasn1-6:amd64 libtasn1-6 4.13-3 install ok installed libtinfo6:amd64 libtinfo6 6.1+20181013-2+deb10u2 install ok installed libudev1:amd64 libudev1 241-7~deb10u8 install ok installed libunistring2:amd64 libunistring2 0.9.10-1 install ok installed libuuid1:amd64 libuuid1 2.33.1-0.1 install ok installed libzstd1:amd64 libzstd1 1.3.8+dfsg-3+deb10u2 install ok installed login login 1:4.5-1.1 install ok installed mawk mawk 1.3.3-17+b3 install ok installed mount mount 2.33.1-0.1 install ok installed ncurses-base ncurses-base 6.1+20181013-2+deb10u2 install ok installed ncurses-bin ncurses-bin 6.1+20181013-2+deb10u2 install ok installed passwd passwd 1:4.5-1.1 install ok installed perl-base perl-base 5.28.1-6+deb10u1 install ok installed sed sed 4.7-1 install ok installed sysvinit-utils sysvinit-utils 2.93-8 install ok installed tar tar 1.30+dfsg-6 install ok installed tzdata tzdata 2021a-0+deb10u6 install ok installed util-linux util-linux 2.33.1-0.1 install ok installed zlib1g:amd64 zlib1g 1:1.2.11.dfsg-1+deb10u1 0m6.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m6.1s DEBUG: Loading chroot meta data from /srv/piuparts.debian.org/slave/refchroot/buster2next/reference-chroot-metadata.dat 0m6.1s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m6.7s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m6.7s INFO: Running scripts is_testable 0m6.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/is_testable_uninstallable'] 0m6.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/is_testable_uninstallable'] 0m6.7s INFO: Running scripts pre_test 0m6.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_test_exceptions'] 0m6.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_test_exceptions'] 0m6.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_test_root_password'] 0m6.8s DUMP: New password: Retype new password: passwd: password updated successfully 0m6.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_test_root_password'] 0m6.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m7.0s DUMP: Package: nwchem Version: 6.8.1-5 Installed-Size: 68701 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.8.1-5), libblas3 | libblas.so.3, libc6 (>= 2.28), libgcc1 (>= 1:4.0), libgfortran5 (>= 8), liblapack3 | liblapack.so.3, libopenmpi3, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), libscalapack-openmpi2.0, zlib1g (>= 1:1.2.0) Description-en: High-performance computational chemistry software NWChem is a computational chemistry program package. It provides methods which are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. . NWChem can handle: . * Molecular electronic structure methods using gaussian basis functions for high-accuracy calculations of molecules * Pseudopotentials plane-wave electronic structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals * Ab-initio and classical molecular dynamics simulations * Mixed quantum-classical simulations * Parallel scaling to thousands of processors . Features include: * Molecular electronic structure methods, analytic second derivatives: - Restricted/unrestricted Hartree-Fock (RHF, UHF) - Restricted Density Functional Theory (DFT) using many local, non-local (gradient-corrected) or hybrid (local, non-local, and HF) exchange-correlation potentials * Molecular electronic structure methods, analytic gradients: - Restricted open-shell Hartree-Fock (ROHF) - Unrestricted Density Functional Theory (DFT) - Second-order Moeller-Plesset perturbation theory (MP2), using RHF and UHF reference - MP2 with resolution of the identity approximation (RI-MP2) - Complete active space SCF (CASSCF) - Time-Dependent Density Functional Theory (TDDFT) * Molecular electronic structure methods, single-point energies: - MP2 spin-component scaled approach (SCS-MP2) - Coupled cluster singles and doubles, triples or pertubative triples (CCSD, CCSDT, CCSD(T)), with RHF and UHF reference - Configuration interaction (CISD, CISDT, and CISDTQ) - Second-order approximate coupled-cluster singles doubles (CC2) - State-specific multireference coupled cluster methods (MRCC) (Brillouin-Wigner (BW-MRCC) and Mukherjee (Mk-MRCC) approaches) * Further molecular electronic structure features: - Geometry optimization including transition state searches, constraints and minimum energy paths (via the Nudged Elastic Band (NEB) and Zero Temperature String methods) - Vibrational frequencies - Equation-of-motion (EOM)-CCSD, EOM-CCSDT, EOM-CCSD(T), CC2, Configuration-Interaction singles (CIS), time-dependent HF (TDHF) and TDDFT, for excited states with RHF, UHF, RDFT, or UDFT reference - Solvatisation using the Conductor-like screening model (COSMO) for RHF, ROHF and DFT, including analytical gradients - Hybrid calculations using the two- and three-layer ONIOM method - Relativistic effects via spin-free and spin-orbit one-electron Douglas-Kroll and zeroth-order regular approximations (ZORA) and one-electron spin-orbit effects for DFT via spin-orbit potentials * Pseudopotential plane-wave electronic structure: - Pseudopotential Plane-Wave (PSPW), Projector Augmented Wave (PAW) or band structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals - Geometry/unit cell optimization including transition state searches - Vibrational frequencies - LDA, PBE96, and PBE0 exchange-correlation potentials (restricted and unrestricted) - SIC, pert-OEP, Hartree-Fock, and hybrid functionals (restricted and unrestricted) - Hamann, Troullier-Martins and Hartwigsen-Goedecker-Hutter norm-conserving pseudopotentials with semicore corrections - Wavefunction, density, electrostatic and Wannier plotting - Band structure and density of states generation * Car-Parrinello ab-initio molecular dynamics (CPMD): - Constant energy and constant temperature dynamics - Verlet algorithm for integration - Geometry constraints in cartesian coordinates * Classical molecular dynamics (MD): - Single configuration energy evaluation - Energy minimization - Molecular dynamics simulation - Free energy simulation (multistep thermodynamic perturbation (MSTP) or multiconfiguration thermodynamic integration (MCTI) methods with options of single and/or dual topologies, double wide sampling, and separation- shifted scaling) - Force fields providing effective pair potentials, first order polarization, self consistent polarization, smooth particle mesh Ewald (SPME), periodic boundary conditions and SHAKE constraints * Mixed quantum-classical: - Mixed quantum-mechanics and molecular-mechanics (QM/MM) minimizations and molecular dynamics simulations - Quantum molecular dynamics simulation by using any of the quantum mechanical methods capable of returning gradients. Description-md5: 899a9172099bec4f0f9b7a3cd72a69ce Homepage: http://www.nwchem-sw.org Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.8.1-5_amd64.deb Size: 13932896 MD5sum: 0af2beb23ce9f761c022f5cedead2824 SHA256: 6fe4ab009267713bb23406924e0c1a013484f0a5ace275828cccc0724473d7ef 0m7.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m7.0s INFO: apt-cache knows about the following packages: nwchem 0m7.0s INFO: Running scripts pre_install 0m7.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_database-server'] 0m7.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_database-server'] 0m7.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_exceptions'] 0m7.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_exceptions'] 0m7.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_extras'] 0m7.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_extras'] 0m7.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture'] 0m7.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture'] 0m7.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m7.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m7.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy'] 0m7.1s DUMP: Package files: 100 /var/lib/dpkg/status release a=now 500 http://deb.debian.org/debian buster/main amd64 Packages release v=10.13,o=Debian,a=oldoldstable,n=buster,l=Debian,c=main,b=amd64 origin deb.debian.org Pinned packages: 0m7.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy'] 0m7.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy', 'nwchem'] 0m7.2s DUMP: nwchem: Installed: (none) Candidate: 6.8.1-5 Version table: 6.8.1-5 500 500 http://deb.debian.org/debian buster/main amd64 Packages 0m7.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy', 'nwchem'] 0m7.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-y', 'install', 'nwchem'] 0m17.9s DUMP: Reading package lists... Building dependency tree... The following additional packages will be installed: libblas3 libbsd0 libedit2 libevent-2.1-6 libevent-core-2.1-6 libevent-pthreads-2.1-6 libexpat1 libfabric1 libgfortran5 libgssapi-krb5-2 libhwloc-plugins libhwloc5 libibverbs1 libicu63 libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack3 libltdl7 libnl-3-200 libnl-route-3-200 libnuma1 libopenmpi3 libpciaccess0 libpmix2 libpsm-infinipath1 libpsm2-2 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libquadmath0 librdmacm1 libreadline7 libscalapack-openmpi2.0 libsqlite3-0 libssl1.1 libxml2 mime-support mpi-default-bin nwchem-data ocl-icd-libopencl1 openmpi-bin openmpi-common openssh-client readline-common Suggested packages: krb5-doc krb5-user libhwloc-contrib-plugins pciutils scalapack-doc opencl-icd gfortran | fortran-compiler keychain libpam-ssh monkeysphere ssh-askpass readline-doc Recommended packages: ibverbs-providers krb5-locales bzip2 file xz-utils libopenmpi-dev xauth The following NEW packages will be installed: libblas3 libbsd0 libedit2 libevent-2.1-6 libevent-core-2.1-6 libevent-pthreads-2.1-6 libexpat1 libfabric1 libgfortran5 libgssapi-krb5-2 libhwloc-plugins libhwloc5 libibverbs1 libicu63 libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack3 libltdl7 libnl-3-200 libnl-route-3-200 libnuma1 libopenmpi3 libpciaccess0 libpmix2 libpsm-infinipath1 libpsm2-2 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libquadmath0 librdmacm1 libreadline7 libscalapack-openmpi2.0 libsqlite3-0 libssl1.1 libxml2 mime-support mpi-default-bin nwchem nwchem-data ocl-icd-libopencl1 openmpi-bin openmpi-common openssh-client readline-common 0 upgraded, 47 newly installed, 0 to remove and 0 not upgraded. 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Setting up libssl1.1:amd64 (1.1.1n-0+deb10u3) ... Setting up nwchem-data (6.8.1-5) ... Setting up libsqlite3-0:amd64 (3.27.2-3+deb10u1) ... Setting up libicu63:amd64 (63.1-6+deb10u3) ... Setting up libkrb5support0:amd64 (1.17-3+deb10u4) ... Setting up libpython2.7-minimal:amd64 (2.7.16-2+deb10u1) ... Setting up libquadmath0:amd64 (8.3.0-6) ... Setting up libk5crypto3:amd64 (1.17-3+deb10u4) ... Setting up libltdl7:amd64 (2.4.6-9) ... Setting up libevent-core-2.1-6:amd64 (2.1.8-stable-4) ... Setting up libgfortran5:amd64 (8.3.0-6) ... Setting up libevent-2.1-6:amd64 (2.1.8-stable-4) ... Setting up libnuma1:amd64 (2.0.12-1) ... Setting up ocl-icd-libopencl1:amd64 (2.2.12-2) ... Setting up libnl-3-200:amd64 (3.4.0-1) ... Setting up libpsm2-2 (11.2.78-1) ... Setting up openmpi-common (3.1.3-11) ... Setting up libkrb5-3:amd64 (1.17-3+deb10u4) ... Setting up libpsm-infinipath1 (3.3+20.604758e7-6) ... update-alternatives: using /usr/lib/libpsm1/libpsm_infinipath.so.1.16 to provide /usr/lib/x86_64-linux-gnu/libpsm_infinipath.so.1 (libpsm_infinipath.so.1) in auto mode Setting up libbsd0:amd64 (0.9.1-2+deb10u1) ... Setting up readline-common (7.0-5) ... Setting up libxml2:amd64 (2.9.4+dfsg1-7+deb10u4) ... Setting up libreadline7:amd64 (7.0-5) ... Setting up libevent-pthreads-2.1-6:amd64 (2.1.8-stable-4) ... Setting up libhwloc5:amd64 (1.11.12-3) ... Setting up libedit2:amd64 (3.1-20181209-1) ... Setting up libhwloc-plugins:amd64 (1.11.12-3) ... Setting up libnl-route-3-200:amd64 (3.4.0-1) ... Setting up libpython2.7-stdlib:amd64 (2.7.16-2+deb10u1) ... Setting up libblas3:amd64 (3.8.0-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/x86_64-linux-gnu/libblas.so.3 (libblas.so.3-x86_64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:amd64 (1.17-3+deb10u4) ... Setting up libibverbs1:amd64 (22.1-1) ... Setting up libpython2.7:amd64 (2.7.16-2+deb10u1) ... Setting up liblapack3:amd64 (3.8.0-2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up libpmix2:amd64 (3.1.2-3) ... Setting up openssh-client (1:7.9p1-10+deb10u2) ... Setting up librdmacm1:amd64 (22.1-1) ... Setting up libfabric1 (1.6.2-3) ... Setting up libopenmpi3:amd64 (3.1.3-11) ... Setting up openmpi-bin (3.1.3-11) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up mpi-default-bin (1.13) ... Setting up libscalapack-openmpi2.0 (2.0.2-7+b2) ... Setting up nwchem (6.8.1-5) ... Processing triggers for libc-bin (2.28-10+deb10u1) ... 0m17.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-y', 'install', 'nwchem'] 0m17.9s INFO: Running scripts post_install 0m17.9s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_install_exceptions'] 0m17.9s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_install_exceptions'] 0m17.9s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m18.7s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m18.7s DEBUG: Upgrading /srv/piuparts.debian.org/tmp/tmpi1ra0cy_ to buster-next 0m18.7s DEBUG: sources.list: deb http://deb.debian.org/debian/ buster main deb http://security.debian.org buster/updates main deb http://deb.debian.org/debian/ buster-updates main deb http://deb.debian.org/debian/ buster-proposed-updates main 0m18.7s INFO: Running scripts pre_distupgrade 0m18.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_allow_unauthenticated'] 0m18.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_allow_unauthenticated'] 0m18.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_exceptions'] 0m18.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_exceptions'] 0m18.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_foreign_architecture_i386'] 0m18.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_foreign_architecture_i386'] 0m18.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_zz_database-server'] 0m18.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_zz_database-server'] 0m18.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_zz_upgrade_early'] 0m18.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_distupgrade_zz_upgrade_early'] 0m18.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'update'] 0m20.8s DUMP: Hit:1 http://deb.debian.org/debian buster InRelease Get:2 http://deb.debian.org/debian buster-updates InRelease [56.6 kB] Get:3 http://security.debian.org buster/updates InRelease [34.8 kB] Get:4 http://deb.debian.org/debian buster-proposed-updates InRelease [59.2 kB] Get:5 http://deb.debian.org/debian buster-updates/main amd64 Packages [8788 B] Get:6 http://deb.debian.org/debian buster-updates/main Translation-en [6915 B] Get:7 http://security.debian.org buster/updates/main amd64 Packages [546 kB] Get:8 http://security.debian.org buster/updates/main Translation-en [295 kB] Get:9 http://deb.debian.org/debian buster-proposed-updates/main amd64 Packages [728 B] Get:10 http://deb.debian.org/debian buster-proposed-updates/main Translation-en [859 B] Fetched 1008 kB in 1s (1112 kB/s) Reading package lists... 0m20.8s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'update'] 0m20.8s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-yf', 'dist-upgrade'] 0m26.7s DUMP: Reading package lists... Building dependency tree... Reading state information... Calculating upgrade... The following packages will be upgraded: debian-archive-keyring libbz2-1.0 libc-bin libc6 libexpat1 libgnutls30 libgssapi-krb5-2 libk5crypto3 libkrb5-3 libkrb5support0 libncursesw6 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libsqlite3-0 libssl1.1 libsystemd0 libtasn1-6 libtinfo6 libudev1 libxml2 ncurses-base ncurses-bin openssh-client tzdata zlib1g 26 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. Need to get 14.8 MB of archives. After this operation, 63.5 kB of additional disk space will be used. Get:1 http://security.debian.org buster/updates/main amd64 ncurses-bin amd64 6.1+20181013-2+deb10u3 [407 kB] Get:2 http://security.debian.org buster/updates/main amd64 libc6 amd64 2.28-10+deb10u2 [2869 kB] Get:3 http://security.debian.org buster/updates/main amd64 libc-bin amd64 2.28-10+deb10u2 [793 kB] Get:4 http://security.debian.org buster/updates/main amd64 ncurses-base all 6.1+20181013-2+deb10u3 [259 kB] Get:5 http://security.debian.org buster/updates/main amd64 libsystemd0 amd64 241-7~deb10u10 [332 kB] Get:6 http://security.debian.org buster/updates/main amd64 zlib1g amd64 1:1.2.11.dfsg-1+deb10u2 [90.9 kB] Get:7 http://security.debian.org buster/updates/main amd64 debian-archive-keyring all 2019.1+deb10u2 [110 kB] Get:8 http://security.debian.org buster/updates/main amd64 libbz2-1.0 amd64 1.0.6-9.2~deb10u2 [45.4 kB] Get:9 http://security.debian.org buster/updates/main amd64 libudev1 amd64 241-7~deb10u10 [151 kB] Get:10 http://security.debian.org buster/updates/main amd64 libtasn1-6 amd64 4.13-3+deb10u1 [52.0 kB] Get:11 http://security.debian.org buster/updates/main amd64 libgnutls30 amd64 3.6.7-4+deb10u10 [1126 kB] Get:12 http://security.debian.org buster/updates/main amd64 libtinfo6 amd64 6.1+20181013-2+deb10u3 [326 kB] Get:13 http://security.debian.org buster/updates/main amd64 libncursesw6 amd64 6.1+20181013-2+deb10u3 [132 kB] Get:14 http://security.debian.org buster/updates/main amd64 tzdata all 2021a-0+deb10u11 [267 kB] Get:15 http://security.debian.org buster/updates/main amd64 libssl1.1 amd64 1.1.1n-0+deb10u6 [1552 kB] Get:16 http://security.debian.org buster/updates/main amd64 libgssapi-krb5-2 amd64 1.17-3+deb10u5 [159 kB] Get:17 http://security.debian.org buster/updates/main amd64 libkrb5-3 amd64 1.17-3+deb10u5 [369 kB] Get:18 http://security.debian.org buster/updates/main amd64 libkrb5support0 amd64 1.17-3+deb10u5 [66.0 kB] Get:19 http://security.debian.org buster/updates/main amd64 libk5crypto3 amd64 1.17-3+deb10u5 [122 kB] Get:20 http://security.debian.org buster/updates/main amd64 libsqlite3-0 amd64 3.27.2-3+deb10u2 [641 kB] Get:21 http://security.debian.org buster/updates/main amd64 libxml2 amd64 2.9.4+dfsg1-7+deb10u6 [690 kB] Get:22 http://security.debian.org buster/updates/main amd64 openssh-client amd64 1:7.9p1-10+deb10u3 [783 kB] Get:23 http://security.debian.org buster/updates/main amd64 libexpat1 amd64 2.2.6-2+deb10u6 [108 kB] Get:24 http://security.debian.org buster/updates/main amd64 libpython2.7 amd64 2.7.16-2+deb10u2 [1036 kB] Get:25 http://security.debian.org buster/updates/main amd64 libpython2.7-stdlib amd64 2.7.16-2+deb10u2 [1911 kB] Get:26 http://security.debian.org buster/updates/main amd64 libpython2.7-minimal amd64 2.7.16-2+deb10u2 [396 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 14.8 MB in 0s (60.0 MB/s) (Reading database ... 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(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 ... 9468 files and directories currently installed.) Preparing to unpack .../debian-archive-keyring_2019.1+deb10u2_all.deb ... Unpacking debian-archive-keyring (2019.1+deb10u2) over (2019.1+deb10u1) ... Setting up debian-archive-keyring (2019.1+deb10u2) ... (Reading database ... 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Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libpython2.7-minimal:amd64 (2.7.16-2+deb10u2) ... Setting up libk5crypto3:amd64 (1.17-3+deb10u5) ... Setting up libkrb5-3:amd64 (1.17-3+deb10u5) ... Setting up libxml2:amd64 (2.9.4+dfsg1-7+deb10u6) ... Setting up libpython2.7-stdlib:amd64 (2.7.16-2+deb10u2) ... Setting up libgssapi-krb5-2:amd64 (1.17-3+deb10u5) ... Setting up libpython2.7:amd64 (2.7.16-2+deb10u2) ... Setting up openssh-client (1:7.9p1-10+deb10u3) ... Processing triggers for libc-bin (2.28-10+deb10u2) ... 0m26.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-yf', 'dist-upgrade'] 0m26.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m27.2s DUMP: 69ab5fceead76a7ef0592607ac7084bd - 0m27.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'sh', '-c', 'apt-cache dumpavail | md5sum'] 0m27.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m27.5s DUMP: Package: nwchem Version: 6.8.1-5 Installed-Size: 68701 Maintainer: Debichem Team Architecture: amd64 Depends: mpi-default-bin, nwchem-data (= 6.8.1-5), libblas3 | libblas.so.3, libc6 (>= 2.28), libgcc1 (>= 1:4.0), libgfortran5 (>= 8), liblapack3 | liblapack.so.3, libopenmpi3, libpython2.7 (>= 2.7), libquadmath0 (>= 4.6), libscalapack-openmpi2.0, zlib1g (>= 1:1.2.0) Description-en: High-performance computational chemistry software NWChem is a computational chemistry program package. It provides methods which are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. . NWChem can handle: . * Molecular electronic structure methods using gaussian basis functions for high-accuracy calculations of molecules * Pseudopotentials plane-wave electronic structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals * Ab-initio and classical molecular dynamics simulations * Mixed quantum-classical simulations * Parallel scaling to thousands of processors . Features include: * Molecular electronic structure methods, analytic second derivatives: - Restricted/unrestricted Hartree-Fock (RHF, UHF) - Restricted Density Functional Theory (DFT) using many local, non-local (gradient-corrected) or hybrid (local, non-local, and HF) exchange-correlation potentials * Molecular electronic structure methods, analytic gradients: - Restricted open-shell Hartree-Fock (ROHF) - Unrestricted Density Functional Theory (DFT) - Second-order Moeller-Plesset perturbation theory (MP2), using RHF and UHF reference - MP2 with resolution of the identity approximation (RI-MP2) - Complete active space SCF (CASSCF) - Time-Dependent Density Functional Theory (TDDFT) * Molecular electronic structure methods, single-point energies: - MP2 spin-component scaled approach (SCS-MP2) - Coupled cluster singles and doubles, triples or pertubative triples (CCSD, CCSDT, CCSD(T)), with RHF and UHF reference - Configuration interaction (CISD, CISDT, and CISDTQ) - Second-order approximate coupled-cluster singles doubles (CC2) - State-specific multireference coupled cluster methods (MRCC) (Brillouin-Wigner (BW-MRCC) and Mukherjee (Mk-MRCC) approaches) * Further molecular electronic structure features: - Geometry optimization including transition state searches, constraints and minimum energy paths (via the Nudged Elastic Band (NEB) and Zero Temperature String methods) - Vibrational frequencies - Equation-of-motion (EOM)-CCSD, EOM-CCSDT, EOM-CCSD(T), CC2, Configuration-Interaction singles (CIS), time-dependent HF (TDHF) and TDDFT, for excited states with RHF, UHF, RDFT, or UDFT reference - Solvatisation using the Conductor-like screening model (COSMO) for RHF, ROHF and DFT, including analytical gradients - Hybrid calculations using the two- and three-layer ONIOM method - Relativistic effects via spin-free and spin-orbit one-electron Douglas-Kroll and zeroth-order regular approximations (ZORA) and one-electron spin-orbit effects for DFT via spin-orbit potentials * Pseudopotential plane-wave electronic structure: - Pseudopotential Plane-Wave (PSPW), Projector Augmented Wave (PAW) or band structure methods for calculating molecules, liquids, crystals, surfaces, semi-conductors or metals - Geometry/unit cell optimization including transition state searches - Vibrational frequencies - LDA, PBE96, and PBE0 exchange-correlation potentials (restricted and unrestricted) - SIC, pert-OEP, Hartree-Fock, and hybrid functionals (restricted and unrestricted) - Hamann, Troullier-Martins and Hartwigsen-Goedecker-Hutter norm-conserving pseudopotentials with semicore corrections - Wavefunction, density, electrostatic and Wannier plotting - Band structure and density of states generation * Car-Parrinello ab-initio molecular dynamics (CPMD): - Constant energy and constant temperature dynamics - Verlet algorithm for integration - Geometry constraints in cartesian coordinates * Classical molecular dynamics (MD): - Single configuration energy evaluation - Energy minimization - Molecular dynamics simulation - Free energy simulation (multistep thermodynamic perturbation (MSTP) or multiconfiguration thermodynamic integration (MCTI) methods with options of single and/or dual topologies, double wide sampling, and separation- shifted scaling) - Force fields providing effective pair potentials, first order polarization, self consistent polarization, smooth particle mesh Ewald (SPME), periodic boundary conditions and SHAKE constraints * Mixed quantum-classical: - Mixed quantum-mechanics and molecular-mechanics (QM/MM) minimizations and molecular dynamics simulations - Quantum molecular dynamics simulation by using any of the quantum mechanical methods capable of returning gradients. Description-md5: 899a9172099bec4f0f9b7a3cd72a69ce Homepage: http://www.nwchem-sw.org Tag: field::chemistry, role::program Section: science Priority: optional Filename: pool/main/n/nwchem/nwchem_6.8.1-5_amd64.deb Size: 13932896 MD5sum: 0af2beb23ce9f761c022f5cedead2824 SHA256: 6fe4ab009267713bb23406924e0c1a013484f0a5ace275828cccc0724473d7ef 0m27.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'show', '--no-all-versions', 'nwchem'] 0m27.5s INFO: apt-cache knows about the following packages: nwchem 0m27.5s INFO: Running scripts pre_install 0m27.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_database-server'] 0m27.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_database-server'] 0m27.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_exceptions'] 0m27.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_exceptions'] 0m27.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_extras'] 0m27.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_extras'] 0m27.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture'] 0m27.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture'] 0m27.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m27.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m27.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy'] 0m27.6s DUMP: Package files: 100 /var/lib/dpkg/status release a=now 500 http://deb.debian.org/debian buster-proposed-updates/main amd64 Packages release v=10-updates,o=Debian,a=oldoldstable-proposed-updates,n=buster-proposed-updates,l=Debian,c=main,b=amd64 origin deb.debian.org 500 http://deb.debian.org/debian buster-updates/main amd64 Packages release o=Debian,a=oldoldstable-updates,n=buster-updates,l=Debian,c=main,b=amd64 origin deb.debian.org 500 http://security.debian.org buster/updates/main amd64 Packages release v=10,o=Debian,a=oldoldstable,n=buster,l=Debian-Security,c=main,b=amd64 origin security.debian.org 500 http://deb.debian.org/debian buster/main amd64 Packages release v=10.13,o=Debian,a=oldoldstable,n=buster,l=Debian,c=main,b=amd64 origin deb.debian.org Pinned packages: 0m27.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy'] 0m27.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy', 'nwchem'] 0m27.7s DUMP: nwchem: Installed: 6.8.1-5 Candidate: 6.8.1-5 Version table: *** 6.8.1-5 500 500 http://deb.debian.org/debian buster/main amd64 Packages 100 /var/lib/dpkg/status 0m27.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy', 'nwchem'] 0m27.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-y', 'install', 'nwchem'] 0m28.2s DUMP: Reading package lists... Building dependency tree... Reading state information... nwchem is already the newest version (6.8.1-5). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 0m28.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-y', 'install', 'nwchem'] 0m28.2s INFO: Running scripts post_install 0m28.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_install_exceptions'] 0m28.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_install_exceptions'] 0m28.2s INFO: Running scripts post_distupgrade 0m28.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_base_cleanup'] 0m28.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_base_cleanup'] 0m28.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_exceptions'] 0m28.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_exceptions'] 0m28.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_force-unsafe-io'] 0m28.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_force-unsafe-io'] 0m28.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_squeeze-backports'] 0m28.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_squeeze-backports'] 0m28.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_zz_backports'] 0m28.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_distupgrade_zz_backports'] 0m28.2s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m29.2s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m29.2s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m30.0s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m30.0s INFO: Running scripts pre_install 0m30.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_database-server'] 0m30.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_database-server'] 0m30.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_exceptions'] 0m30.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_exceptions'] 0m30.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_extras'] 0m30.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_extras'] 0m30.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture'] 0m30.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture'] 0m30.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m30.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_install_foreign_architecture_i386'] 0m30.1s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy'] 0m30.2s DUMP: Package files: 100 /var/lib/dpkg/status release a=now 500 http://deb.debian.org/debian buster-proposed-updates/main amd64 Packages release v=10-updates,o=Debian,a=oldoldstable-proposed-updates,n=buster-proposed-updates,l=Debian,c=main,b=amd64 origin deb.debian.org 500 http://deb.debian.org/debian buster-updates/main amd64 Packages release o=Debian,a=oldoldstable-updates,n=buster-updates,l=Debian,c=main,b=amd64 origin deb.debian.org 500 http://security.debian.org buster/updates/main amd64 Packages release v=10,o=Debian,a=oldoldstable,n=buster,l=Debian-Security,c=main,b=amd64 origin security.debian.org 500 http://deb.debian.org/debian buster/main amd64 Packages release v=10.13,o=Debian,a=oldoldstable,n=buster,l=Debian,c=main,b=amd64 origin deb.debian.org Pinned packages: 0m30.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy'] 0m30.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy', 'nwchem'] 0m30.2s DUMP: nwchem: Installed: 6.8.1-5 Candidate: 6.8.1-5 Version table: *** 6.8.1-5 500 500 http://deb.debian.org/debian buster/main amd64 Packages 100 /var/lib/dpkg/status 0m30.2s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-cache', 'policy', 'nwchem'] 0m30.2s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-y', 'install', 'nwchem=6.8.1-5'] 0m30.7s DUMP: Reading package lists... Building dependency tree... Reading state information... nwchem is already the newest version (6.8.1-5). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 0m30.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', '-y', 'install', 'nwchem=6.8.1-5'] 0m30.7s INFO: Running scripts post_install 0m30.7s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_install_exceptions'] 0m30.7s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_install_exceptions'] 0m30.7s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m31.6s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m32.5s DEBUG: Starting command: ['debsums', '--root', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', '-ac', '--ignore-obsolete'] 0m34.3s DEBUG: Command ok: ['debsums', '--root', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', '-ac', '--ignore-obsolete'] 0m34.3s DEBUG: Starting command: ['dpkg-query', '-f', '${Version}\n', '-W', 'adequate'] 0m34.3s DUMP: 0.15.6 0m34.3s DEBUG: Command ok: ['dpkg-query', '-f', '${Version}\n', '-W', 'adequate'] 0m34.3s INFO: Running adequate version 0.15.6 now. 0m34.3s DEBUG: Starting command: ['adequate', '--root', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'nwchem'] 0m34.4s DEBUG: Command ok: ['adequate', '--root', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'nwchem'] 0m34.4s INFO: Running scripts pre_remove 0m34.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_40_find_missing_md5sums'] 0m34.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_40_find_missing_md5sums'] 0m34.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_40_find_obsolete_conffiles'] 0m34.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_40_find_obsolete_conffiles'] 0m34.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_40_find_unowned_lib_links'] 0m37.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_40_find_unowned_lib_links'] 0m37.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_50_find_bad_permissions'] 0m37.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_50_find_bad_permissions'] 0m37.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_50_find_missing_copyright'] 0m37.5s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_50_find_missing_copyright'] 0m37.5s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_exceptions'] 0m37.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/pre_remove_exceptions'] 0m37.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m37.6s DUMP: install ok installed adduser adduser 3.118 install ok installed apt apt 1.8.2.3 install ok installed base-files base-files 10.3+deb10u13 install ok installed base-passwd base-passwd 3.5.46 install ok installed bash bash 5.0-4 install ok installed bsdutils bsdutils 1:2.33.1-0.1 install ok installed coreutils coreutils 8.30-3 install ok installed dash dash 0.5.10.2-5 install ok installed debconf debconf 1.5.71+deb10u1 install ok installed debian-archive-keyring debian-archive-keyring 2019.1+deb10u2 install ok installed debianutils debianutils 4.8.6.1 install ok installed diffutils diffutils 1:3.7-3 install ok installed dpkg dpkg 1.19.8 install ok installed e2fsprogs e2fsprogs 1.44.5-1+deb10u3 install ok installed fdisk fdisk 2.33.1-0.1 install ok installed findutils findutils 4.6.0+git+20190209-2 install ok installed gcc-8-base:amd64 gcc-8-base 8.3.0-6 install ok installed gpgv gpgv 2.2.12-1+deb10u2 install ok installed grep grep 3.3-1 install ok installed gzip gzip 1.9-3+deb10u1 install ok installed hostname hostname 3.21 install ok installed init-system-helpers init-system-helpers 1.56+nmu1 install ok installed libacl1:amd64 libacl1 2.2.53-4 install ok installed libapt-pkg5.0:amd64 libapt-pkg5.0 1.8.2.3 install ok installed libattr1:amd64 libattr1 1:2.4.48-4 install ok installed libaudit-common libaudit-common 1:2.8.4-3 install ok installed libaudit1:amd64 libaudit1 1:2.8.4-3 install ok installed libblas3:amd64 libblas3 3.8.0-2 install ok installed libblkid1:amd64 libblkid1 2.33.1-0.1 install ok installed libbsd0:amd64 libbsd0 0.9.1-2+deb10u1 install ok installed libbz2-1.0:amd64 libbz2-1.0 1.0.6-9.2~deb10u2 install ok installed libc-bin libc-bin 2.28-10+deb10u2 install ok installed libc6:amd64 libc6 2.28-10+deb10u2 install ok installed libcap-ng0:amd64 libcap-ng0 0.7.9-2 install ok installed libcom-err2:amd64 libcom-err2 1.44.5-1+deb10u3 install ok installed libdb5.3:amd64 libdb5.3 5.3.28+dfsg1-0.5 install ok installed libdebconfclient0:amd64 libdebconfclient0 0.249 install ok installed libedit2:amd64 libedit2 3.1-20181209-1 install ok installed libevent-2.1-6:amd64 libevent-2.1-6 2.1.8-stable-4 install ok installed libevent-core-2.1-6:amd64 libevent-core-2.1-6 2.1.8-stable-4 install ok installed libevent-pthreads-2.1-6:amd64 libevent-pthreads-2.1-6 2.1.8-stable-4 install ok installed libexpat1:amd64 libexpat1 2.2.6-2+deb10u6 install ok installed libext2fs2:amd64 libext2fs2 1.44.5-1+deb10u3 install ok installed libfabric1 libfabric1 1.6.2-3 install ok installed libfdisk1:amd64 libfdisk1 2.33.1-0.1 install ok installed libffi6:amd64 libffi6 3.2.1-9 install ok installed libgcc1:amd64 libgcc1 1:8.3.0-6 install ok installed libgcrypt20:amd64 libgcrypt20 1.8.4-5+deb10u1 install ok installed libgfortran5:amd64 libgfortran5 8.3.0-6 install ok installed libgmp10:amd64 libgmp10 2:6.1.2+dfsg-4+deb10u1 install ok installed libgnutls30:amd64 libgnutls30 3.6.7-4+deb10u10 install ok installed libgpg-error0:amd64 libgpg-error0 1.35-1 install ok installed libgssapi-krb5-2:amd64 libgssapi-krb5-2 1.17-3+deb10u5 install ok installed libhogweed4:amd64 libhogweed4 3.4.1-1+deb10u1 install ok installed libhwloc-plugins:amd64 libhwloc-plugins 1.11.12-3 install ok installed libhwloc5:amd64 libhwloc5 1.11.12-3 install ok installed libibverbs1:amd64 libibverbs1 22.1-1 install ok installed libicu63:amd64 libicu63 63.1-6+deb10u3 install ok installed libidn2-0:amd64 libidn2-0 2.0.5-1+deb10u1 install ok installed libk5crypto3:amd64 libk5crypto3 1.17-3+deb10u5 install ok installed libkeyutils1:amd64 libkeyutils1 1.6-6 install ok installed libkrb5-3:amd64 libkrb5-3 1.17-3+deb10u5 install ok installed libkrb5support0:amd64 libkrb5support0 1.17-3+deb10u5 install ok installed liblapack3:amd64 liblapack3 3.8.0-2 install ok installed libltdl7:amd64 libltdl7 2.4.6-9 install ok installed liblz4-1:amd64 liblz4-1 1.8.3-1+deb10u1 install ok installed liblzma5:amd64 liblzma5 5.2.4-1+deb10u1 install ok installed libmount1:amd64 libmount1 2.33.1-0.1 install ok installed libncursesw6:amd64 libncursesw6 6.1+20181013-2+deb10u3 install ok installed libnettle6:amd64 libnettle6 3.4.1-1+deb10u1 install ok installed libnl-3-200:amd64 libnl-3-200 3.4.0-1 install ok installed libnl-route-3-200:amd64 libnl-route-3-200 3.4.0-1 install ok installed libnuma1:amd64 libnuma1 2.0.12-1 install ok installed libopenmpi3:amd64 libopenmpi3 3.1.3-11 install ok installed libp11-kit0:amd64 libp11-kit0 0.23.15-2+deb10u1 install ok installed libpam-modules:amd64 libpam-modules 1.3.1-5 install ok installed libpam-modules-bin libpam-modules-bin 1.3.1-5 install ok installed libpam-runtime libpam-runtime 1.3.1-5 install ok installed libpam0g:amd64 libpam0g 1.3.1-5 install ok installed libpciaccess0:amd64 libpciaccess0 0.14-1 install ok installed libpcre3:amd64 libpcre3 2:8.39-12 install ok installed libpmix2:amd64 libpmix2 3.1.2-3 install ok installed libpsm-infinipath1 libpsm-infinipath1 3.3+20.604758e7-6 install ok installed libpsm2-2 libpsm2-2 11.2.78-1 install ok installed libpython2.7:amd64 libpython2.7 2.7.16-2+deb10u2 install ok installed libpython2.7-minimal:amd64 libpython2.7-minimal 2.7.16-2+deb10u2 install ok installed libpython2.7-stdlib:amd64 libpython2.7-stdlib 2.7.16-2+deb10u2 install ok installed libquadmath0:amd64 libquadmath0 8.3.0-6 install ok installed librdmacm1:amd64 librdmacm1 22.1-1 install ok installed libreadline7:amd64 libreadline7 7.0-5 install ok installed libscalapack-openmpi2.0 libscalapack-openmpi2.0 2.0.2-7+b2 install ok installed libseccomp2:amd64 libseccomp2 2.3.3-4 install ok installed libselinux1:amd64 libselinux1 2.8-1+b1 install ok installed libsemanage-common libsemanage-common 2.8-2 install ok installed libsemanage1:amd64 libsemanage1 2.8-2 install ok installed libsepol1:amd64 libsepol1 2.8-1 install ok installed libsmartcols1:amd64 libsmartcols1 2.33.1-0.1 install ok installed libsqlite3-0:amd64 libsqlite3-0 3.27.2-3+deb10u2 install ok installed libss2:amd64 libss2 1.44.5-1+deb10u3 install ok installed libssl1.1:amd64 libssl1.1 1.1.1n-0+deb10u6 install ok installed libstdc++6:amd64 libstdc++6 8.3.0-6 install ok installed libsystemd0:amd64 libsystemd0 241-7~deb10u10 install ok installed libtasn1-6:amd64 libtasn1-6 4.13-3+deb10u1 install ok installed libtinfo6:amd64 libtinfo6 6.1+20181013-2+deb10u3 install ok installed libudev1:amd64 libudev1 241-7~deb10u10 install ok installed libunistring2:amd64 libunistring2 0.9.10-1 install ok installed libuuid1:amd64 libuuid1 2.33.1-0.1 install ok installed libxml2:amd64 libxml2 2.9.4+dfsg1-7+deb10u6 install ok installed libzstd1:amd64 libzstd1 1.3.8+dfsg-3+deb10u2 install ok installed login login 1:4.5-1.1 install ok installed mawk mawk 1.3.3-17+b3 install ok installed mime-support mime-support 3.62 install ok installed mount mount 2.33.1-0.1 install ok installed mpi-default-bin mpi-default-bin 1.13 install ok installed ncurses-base ncurses-base 6.1+20181013-2+deb10u3 install ok installed ncurses-bin ncurses-bin 6.1+20181013-2+deb10u3 install ok installed nwchem nwchem 6.8.1-5 install ok installed nwchem-data nwchem-data 6.8.1-5 install ok installed ocl-icd-libopencl1:amd64 ocl-icd-libopencl1 2.2.12-2 install ok installed openmpi-bin openmpi-bin 3.1.3-11 install ok installed openmpi-common openmpi-common 3.1.3-11 install ok installed openssh-client openssh-client 1:7.9p1-10+deb10u3 install ok installed passwd passwd 1:4.5-1.1 install ok installed perl-base perl-base 5.28.1-6+deb10u1 install ok installed readline-common readline-common 7.0-5 install ok installed sed sed 4.7-1 install ok installed sysvinit-utils sysvinit-utils 2.93-8 install ok installed tar tar 1.30+dfsg-6 install ok installed tzdata tzdata 2021a-0+deb10u11 install ok installed util-linux util-linux 2.33.1-0.1 install ok installed zlib1g:amd64 zlib1g 1:1.2.11.dfsg-1+deb10u2 0m37.6s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg-query', '-W', '-f', '${Status}\\t${binary:Package}\\t${Package}\\t${Version}\\n'] 0m37.6s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'remove', 'libblas3:amd64', 'libbsd0:amd64', 'libedit2:amd64', 'libevent-2.1-6:amd64', 'libevent-core-2.1-6:amd64', 'libevent-pthreads-2.1-6:amd64', 'libexpat1:amd64', 'libfabric1', 'libgfortran5:amd64', 'libgssapi-krb5-2:amd64', 'libhwloc-plugins:amd64', 'libhwloc5:amd64', 'libibverbs1:amd64', 'libicu63:amd64', 'libk5crypto3:amd64', 'libkeyutils1:amd64', 'libkrb5-3:amd64', 'libkrb5support0:amd64', 'liblapack3:amd64', 'libltdl7:amd64', 'libnl-3-200:amd64', 'libnl-route-3-200:amd64', 'libnuma1:amd64', 'libopenmpi3:amd64', 'libpciaccess0:amd64', 'libpmix2:amd64', 'libpsm-infinipath1', 'libpsm2-2', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'librdmacm1:amd64', 'libreadline7:amd64', 'libscalapack-openmpi2.0', 'libsqlite3-0:amd64', 'libssl1.1:amd64', 'libxml2:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'ocl-icd-libopencl1:amd64', 'openmpi-bin', 'openmpi-common', 'openssh-client', 'readline-common', 'nwchem'] 0m39.0s DUMP: Reading package lists... Building dependency tree... Reading state information... The following packages will be REMOVED: libblas3 libbsd0 libedit2 libevent-2.1-6 libevent-core-2.1-6 libevent-pthreads-2.1-6 libexpat1 libfabric1 libgfortran5 libgssapi-krb5-2 libhwloc-plugins libhwloc5 libibverbs1 libicu63 libk5crypto3 libkeyutils1 libkrb5-3 libkrb5support0 liblapack3 libltdl7 libnl-3-200 libnl-route-3-200 libnuma1 libopenmpi3 libpciaccess0 libpmix2 libpsm-infinipath1 libpsm2-2 libpython2.7 libpython2.7-minimal libpython2.7-stdlib libquadmath0 librdmacm1 libreadline7 libscalapack-openmpi2.0 libsqlite3-0 libssl1.1 libxml2 mime-support mpi-default-bin nwchem nwchem-data ocl-icd-libopencl1 openmpi-bin openmpi-common openssh-client readline-common 0 upgraded, 0 newly installed, 47 to remove and 0 not upgraded. After this operation, 215 MB disk space will be freed. (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 ... 9477 files and directories currently installed.) Removing nwchem (6.8.1-5) ... Removing libscalapack-openmpi2.0 (2.0.2-7+b2) ... Removing liblapack3:amd64 (3.8.0-2) ... Removing libblas3:amd64 (3.8.0-2) ... Removing mpi-default-bin (1.13) ... Removing openmpi-bin (3.1.3-11) ... Removing openssh-client (1:7.9p1-10+deb10u3) ... Removing libedit2:amd64 (3.1-20181209-1) ... Removing libbsd0:amd64 (0.9.1-2+deb10u1) ... Removing libopenmpi3:amd64 (3.1.3-11) ... Removing libpmix2:amd64 (3.1.2-3) ... Removing libevent-2.1-6:amd64 (2.1.8-stable-4) ... Removing libevent-pthreads-2.1-6:amd64 (2.1.8-stable-4) ... Removing libevent-core-2.1-6:amd64 (2.1.8-stable-4) ... Removing libpython2.7:amd64 (2.7.16-2+deb10u2) ... Removing libpython2.7-stdlib:amd64 (2.7.16-2+deb10u2) ... Removing libexpat1:amd64 (2.2.6-2+deb10u6) ... Removing libfabric1 (1.6.2-3) ... Removing libgfortran5:amd64 (8.3.0-6) ... Removing libgssapi-krb5-2:amd64 (1.17-3+deb10u5) ... Removing libhwloc-plugins:amd64 (1.11.12-3) ... Removing libhwloc5:amd64 (1.11.12-3) ... Removing librdmacm1:amd64 (22.1-1) ... Removing libibverbs1:amd64 (22.1-1) ... Removing libxml2:amd64 (2.9.4+dfsg1-7+deb10u6) ... Removing libicu63:amd64 (63.1-6+deb10u3) ... Removing libkrb5-3:amd64 (1.17-3+deb10u5) ... Removing libk5crypto3:amd64 (1.17-3+deb10u5) ... Removing libkrb5support0:amd64 (1.17-3+deb10u5) ... Removing libkeyutils1:amd64 (1.6-6) ... Removing libltdl7:amd64 (2.4.6-9) ... Removing libnl-route-3-200:amd64 (3.4.0-1) ... Removing libnl-3-200:amd64 (3.4.0-1) ... Removing libpsm2-2 (11.2.78-1) ... Removing libnuma1:amd64 (2.0.12-1) ... Removing libpciaccess0:amd64 (0.14-1) ... Removing libpsm-infinipath1 (3.3+20.604758e7-6) ... update-alternatives: warning: alternative /usr/lib/libpsm1/libpsm_infinipath.so.1.16 (part of link group libpsm_infinipath.so.1) doesn't exist; removing from list of alternatives update-alternatives: warning: /etc/alternatives/libpsm_infinipath.so.1 is dangling; it will be updated with best choice Removing libpython2.7-minimal:amd64 (2.7.16-2+deb10u2) ... find: '/usr/lib/python2.7': No such file or directory Removing libquadmath0:amd64 (8.3.0-6) ... Removing libreadline7:amd64 (7.0-5) ... Removing libsqlite3-0:amd64 (3.27.2-3+deb10u2) ... Removing libssl1.1:amd64 (1.1.1n-0+deb10u6) ... Removing mime-support (3.62) ... Removing nwchem-data (6.8.1-5) ... Removing ocl-icd-libopencl1:amd64 (2.2.12-2) ... Removing openmpi-common (3.1.3-11) ... Removing readline-common (7.0-5) ... Processing triggers for libc-bin (2.28-10+deb10u2) ... 0m39.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'remove', 'libblas3:amd64', 'libbsd0:amd64', 'libedit2:amd64', 'libevent-2.1-6:amd64', 'libevent-core-2.1-6:amd64', 'libevent-pthreads-2.1-6:amd64', 'libexpat1:amd64', 'libfabric1', 'libgfortran5:amd64', 'libgssapi-krb5-2:amd64', 'libhwloc-plugins:amd64', 'libhwloc5:amd64', 'libibverbs1:amd64', 'libicu63:amd64', 'libk5crypto3:amd64', 'libkeyutils1:amd64', 'libkrb5-3:amd64', 'libkrb5support0:amd64', 'liblapack3:amd64', 'libltdl7:amd64', 'libnl-3-200:amd64', 'libnl-route-3-200:amd64', 'libnuma1:amd64', 'libopenmpi3:amd64', 'libpciaccess0:amd64', 'libpmix2:amd64', 'libpsm-infinipath1', 'libpsm2-2', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'librdmacm1:amd64', 'libreadline7:amd64', 'libscalapack-openmpi2.0', 'libsqlite3-0:amd64', 'libssl1.1:amd64', 'libxml2:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'ocl-icd-libopencl1:amd64', 'openmpi-bin', 'openmpi-common', 'openssh-client', 'readline-common', 'nwchem'] 0m39.0s INFO: Running scripts post_remove 0m39.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_remove_exceptions'] 0m39.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_remove_exceptions'] 0m39.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--purge', 'libblas3:amd64', 'libbsd0:amd64', 'libedit2:amd64', 'libevent-2.1-6:amd64', 'libevent-core-2.1-6:amd64', 'libevent-pthreads-2.1-6:amd64', 'libexpat1:amd64', 'libfabric1', 'libgfortran5:amd64', 'libgssapi-krb5-2:amd64', 'libhwloc-plugins:amd64', 'libhwloc5:amd64', 'libibverbs1:amd64', 'libicu63:amd64', 'libk5crypto3:amd64', 'libkeyutils1:amd64', 'libkrb5-3:amd64', 'libkrb5support0:amd64', 'liblapack3:amd64', 'libltdl7:amd64', 'libnl-3-200:amd64', 'libnl-route-3-200:amd64', 'libnuma1:amd64', 'libopenmpi3:amd64', 'libpciaccess0:amd64', 'libpmix2:amd64', 'libpsm-infinipath1', 'libpsm2-2', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'librdmacm1:amd64', 'libreadline7:amd64', 'libscalapack-openmpi2.0', 'libsqlite3-0:amd64', 'libssl1.1:amd64', 'libxml2:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'ocl-icd-libopencl1:amd64', 'openmpi-bin', 'openmpi-common', 'openssh-client', 'readline-common'] 0m39.3s DUMP: dpkg: warning: ignoring request to remove libblas3 which isn't installed dpkg: warning: ignoring request to remove libbsd0 which isn't installed dpkg: warning: ignoring request to remove libedit2 which isn't installed dpkg: warning: ignoring request to remove libevent-2.1-6 which isn't installed dpkg: warning: ignoring request to remove libevent-core-2.1-6 which isn't installed dpkg: warning: ignoring request to remove libevent-pthreads-2.1-6 which isn't installed dpkg: warning: ignoring request to remove libexpat1 which isn't installed dpkg: warning: ignoring request to remove libfabric1 which isn't installed dpkg: warning: ignoring request to remove libgfortran5 which isn't installed (Reading database ... 6484 files and directories currently installed.) Purging configuration files for libgssapi-krb5-2:amd64 (1.17-3+deb10u5) ... dpkg: warning: ignoring request to remove libhwloc-plugins which isn't installed dpkg: warning: ignoring request to remove libhwloc5 which isn't installed dpkg: warning: ignoring request to remove libibverbs1 which isn't installed dpkg: warning: ignoring request to remove libicu63 which isn't installed dpkg: warning: ignoring request to remove libk5crypto3 which isn't installed dpkg: warning: ignoring request to remove libkeyutils1 which isn't installed dpkg: warning: ignoring request to remove libkrb5-3 which isn't installed dpkg: warning: ignoring request to remove libkrb5support0 which isn't installed dpkg: warning: ignoring request to remove liblapack3 which isn't installed dpkg: warning: ignoring request to remove libltdl7 which isn't installed Purging configuration files for libnl-3-200:amd64 (3.4.0-1) ... dpkg: warning: ignoring request to remove libnl-route-3-200 which isn't installed dpkg: warning: ignoring request to remove libnuma1 which isn't installed dpkg: warning: ignoring request to remove libopenmpi3 which isn't installed dpkg: warning: ignoring request to remove libpciaccess0 which isn't installed dpkg: warning: ignoring request to remove libpmix2 which isn't installed Purging configuration files for libpsm-infinipath1 (3.3+20.604758e7-6) ... dpkg: warning: ignoring request to remove libpsm2-2 which isn't installed dpkg: warning: ignoring request to remove libpython2.7 which isn't installed Purging configuration files for libpython2.7-minimal:amd64 (2.7.16-2+deb10u2) ... dpkg: warning: ignoring request to remove libpython2.7-stdlib which isn't installed dpkg: warning: ignoring request to remove libquadmath0 which isn't installed dpkg: warning: ignoring request to remove librdmacm1 which isn't installed dpkg: warning: ignoring request to remove libreadline7 which isn't installed dpkg: warning: ignoring request to remove libscalapack-openmpi2.0 which isn't installed dpkg: warning: ignoring request to remove libsqlite3-0 which isn't installed Purging configuration files for libssl1.1:amd64 (1.1.1n-0+deb10u6) ... dpkg: warning: ignoring request to remove libxml2 which isn't installed Purging configuration files for mime-support (3.62) ... dpkg: warning: ignoring request to remove mpi-default-bin which isn't installed dpkg: warning: ignoring request to remove nwchem-data which isn't installed dpkg: warning: ignoring request to remove ocl-icd-libopencl1 which isn't installed Purging configuration files for openmpi-bin (3.1.3-11) ... dpkg: warning: ignoring request to remove openmpi-common which isn't installed Purging configuration files for openssh-client (1:7.9p1-10+deb10u3) ... Purging configuration files for readline-common (7.0-5) ... 0m39.3s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--purge', 'libblas3:amd64', 'libbsd0:amd64', 'libedit2:amd64', 'libevent-2.1-6:amd64', 'libevent-core-2.1-6:amd64', 'libevent-pthreads-2.1-6:amd64', 'libexpat1:amd64', 'libfabric1', 'libgfortran5:amd64', 'libgssapi-krb5-2:amd64', 'libhwloc-plugins:amd64', 'libhwloc5:amd64', 'libibverbs1:amd64', 'libicu63:amd64', 'libk5crypto3:amd64', 'libkeyutils1:amd64', 'libkrb5-3:amd64', 'libkrb5support0:amd64', 'liblapack3:amd64', 'libltdl7:amd64', 'libnl-3-200:amd64', 'libnl-route-3-200:amd64', 'libnuma1:amd64', 'libopenmpi3:amd64', 'libpciaccess0:amd64', 'libpmix2:amd64', 'libpsm-infinipath1', 'libpsm2-2', 'libpython2.7:amd64', 'libpython2.7-minimal:amd64', 'libpython2.7-stdlib:amd64', 'libquadmath0:amd64', 'librdmacm1:amd64', 'libreadline7:amd64', 'libscalapack-openmpi2.0', 'libsqlite3-0:amd64', 'libssl1.1:amd64', 'libxml2:amd64', 'mime-support', 'mpi-default-bin', 'nwchem-data', 'ocl-icd-libopencl1:amd64', 'openmpi-bin', 'openmpi-common', 'openssh-client', 'readline-common'] 0m39.3s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--purge', 'nwchem'] 0m39.4s DUMP: dpkg: warning: ignoring request to remove nwchem which isn't installed 0m39.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--purge', 'nwchem'] 0m39.4s INFO: Running scripts post_purge 0m39.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_purge_exceptions'] 0m39.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_purge_exceptions'] 0m39.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--purge', '--pending'] 0m39.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--purge', '--pending'] 0m39.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--remove', '--pending'] 0m39.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg', '--remove', '--pending'] 0m39.4s INFO: Running scripts post_test 0m39.4s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_test_exceptions'] 0m39.4s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'tmp/scripts/post_test_exceptions'] 0m39.4s DEBUG: Starting command: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m40.0s DEBUG: Command failed (status=1), but ignoring error: ['lsof', '-w', '+D', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m40.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg-divert', '--list'] 0m40.0s DUMP: local diversion of /bin/sync to /bin/sync.distrib diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash local diversion of /home to /home.distrib diversion of /bin/sh to /bin/sh.distrib by dash 0m40.0s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'dpkg-divert', '--list'] 0m40.0s DEBUG: Starting command: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'clean'] 0m40.1s DEBUG: Command ok: ['chroot', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_', 'apt-get', 'clean'] 0m40.1s DEBUG: Recording chroot state 0m41.8s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/shm'] 0m41.8s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/shm'] 0m41.8s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/console'] 0m41.8s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/console'] 0m41.8s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/ptmx'] 0m41.8s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/ptmx'] 0m41.8s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/pts'] 0m41.8s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/dev/pts'] 0m41.8s DEBUG: Starting command: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/proc'] 0m41.9s DEBUG: Command ok: ['umount', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_/proc'] 0m41.9s DEBUG: Starting command: ['rm', '-rf', '--one-file-system', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m42.1s DEBUG: Command ok: ['rm', '-rf', '--one-file-system', '/srv/piuparts.debian.org/tmp/tmpi1ra0cy_'] 0m42.1s DEBUG: Removed directory tree at /srv/piuparts.debian.org/tmp/tmpi1ra0cy_ 0m42.1s INFO: PASS: Upgrading between Debian distributions. 0m42.1s INFO: PASS: All tests. 0m42.1s INFO: piuparts run ends. ret=0 End: 2023-08-19 13:07:51 GMT