0s autopkgtest [11:54:47]: starting date and time: 2025-05-03 11:54:47+0000 0s autopkgtest [11:54:47]: git checkout: 9986aa8c Merge branch 'skia/fix_network_interface' into 'ubuntu/production' 0s autopkgtest [11:54:47]: host juju-7f2275-prod-proposed-migration-environment-21; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.mlnlgeut/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:libzstd --apt-upgrade lammps --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 --env=ADT_TEST_TRIGGERS=libzstd/1.5.7+dfsg-1 -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor builder-cpu2-ram4-disk20 --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-21@bos03-18.secgroup --name adt-questing-amd64-lammps-20250503-115447-juju-7f2275-prod-proposed-migration-environment-21-a4f6fbbf-f207-4108-982f-ea623be482ed --image adt/ubuntu-questing-amd64-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-21 --net-id=net_prod-proposed-migration-amd64 -e TERM=linux --mirror=http://ftpmaster.internal/ubuntu/ 70s autopkgtest [11:55:57]: testbed dpkg architecture: amd64 70s autopkgtest [11:55:57]: testbed apt version: 3.0.0 70s autopkgtest [11:55:57]: @@@@@@@@@@@@@@@@@@@@ test bed setup 70s autopkgtest [11:55:57]: testbed release detected to be: None 71s autopkgtest [11:55:58]: updating testbed package index (apt update) 72s Get:1 http://ftpmaster.internal/ubuntu questing-proposed InRelease [110 kB] 72s Hit:2 http://ftpmaster.internal/ubuntu questing InRelease 72s Hit:3 http://ftpmaster.internal/ubuntu questing-updates InRelease 72s Hit:4 http://ftpmaster.internal/ubuntu questing-security InRelease 72s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/multiverse Sources [44.6 kB] 72s Get:6 http://ftpmaster.internal/ubuntu questing-proposed/main Sources [155 kB] 72s Get:7 http://ftpmaster.internal/ubuntu questing-proposed/universe Sources [1655 kB] 72s Get:8 http://ftpmaster.internal/ubuntu questing-proposed/main i386 Packages [146 kB] 72s Get:9 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 Packages [198 kB] 72s Get:10 http://ftpmaster.internal/ubuntu questing-proposed/universe amd64 Packages [1372 kB] 72s Get:11 http://ftpmaster.internal/ubuntu questing-proposed/universe i386 Packages [562 kB] 72s Get:12 http://ftpmaster.internal/ubuntu questing-proposed/multiverse amd64 Packages [15.0 kB] 72s Get:13 http://ftpmaster.internal/ubuntu questing-proposed/multiverse i386 Packages [13.2 kB] 73s Fetched 4272 kB in 1s (3577 kB/s) 74s Reading package lists... 74s autopkgtest [11:56:01]: upgrading testbed (apt dist-upgrade and autopurge) 74s Reading package lists... 75s Building dependency tree... 75s Reading state information... 75s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 75s Starting 2 pkgProblemResolver with broken count: 0 75s Done 76s Entering ResolveByKeep 76s 76s Calculating upgrade... 76s The following packages will be upgraded: 76s debianutils libnftnl11 libzstd1 python3-lazr.restfulclient zstd 76s 5 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 76s Need to get 1193 kB of archives. 76s After this operation, 503 kB disk space will be freed. 76s Get:1 http://ftpmaster.internal/ubuntu questing/main amd64 debianutils amd64 5.22 [93.0 kB] 77s Get:2 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 libzstd1 amd64 1.5.7+dfsg-1 [308 kB] 77s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 libnftnl11 amd64 1.2.9-1 [69.1 kB] 77s Get:4 http://ftpmaster.internal/ubuntu questing/main amd64 python3-lazr.restfulclient all 0.14.6-3 [51.0 kB] 77s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 zstd amd64 1.5.7+dfsg-1 [672 kB] 77s Fetched 1193 kB in 1s (2178 kB/s) 77s (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 ... 80514 files and directories currently installed.) 77s Preparing to unpack .../debianutils_5.22_amd64.deb ... 77s Unpacking debianutils (5.22) over (5.21) ... 78s Setting up debianutils (5.22) ... 78s (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 ... 80514 files and directories currently installed.) 78s Preparing to unpack .../libzstd1_1.5.7+dfsg-1_amd64.deb ... 78s Unpacking libzstd1:amd64 (1.5.7+dfsg-1) over (1.5.6+dfsg-2) ... 78s Setting up libzstd1:amd64 (1.5.7+dfsg-1) ... 78s (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 ... 80514 files and directories currently installed.) 78s Preparing to unpack .../libnftnl11_1.2.9-1_amd64.deb ... 78s Unpacking libnftnl11:amd64 (1.2.9-1) over (1.2.8-1) ... 78s Preparing to unpack .../python3-lazr.restfulclient_0.14.6-3_all.deb ... 78s Unpacking python3-lazr.restfulclient (0.14.6-3) over (0.14.6-2) ... 78s Preparing to unpack .../zstd_1.5.7+dfsg-1_amd64.deb ... 78s Unpacking zstd (1.5.7+dfsg-1) over (1.5.6+dfsg-2) ... 78s Setting up libnftnl11:amd64 (1.2.9-1) ... 78s Setting up python3-lazr.restfulclient (0.14.6-3) ... 78s Setting up zstd (1.5.7+dfsg-1) ... 78s Processing triggers for man-db (2.13.0-1) ... 80s Processing triggers for libc-bin (2.41-6ubuntu1) ... 80s Reading package lists... 80s Building dependency tree... 80s Reading state information... 81s Starting pkgProblemResolver with broken count: 0 81s Starting 2 pkgProblemResolver with broken count: 0 81s Done 81s Solving dependencies... 81s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 84s autopkgtest [11:56:11]: testbed running kernel: Linux 6.14.0-15-generic #15-Ubuntu SMP PREEMPT_DYNAMIC Sun Apr 6 15:05:05 UTC 2025 84s autopkgtest [11:56:11]: @@@@@@@@@@@@@@@@@@@@ apt-source lammps 94s Get:1 http://ftpmaster.internal/ubuntu questing/universe lammps 20240207+dfsg-3build3 (dsc) [3182 B] 94s Get:2 http://ftpmaster.internal/ubuntu questing/universe lammps 20240207+dfsg-3build3 (tar) [153 MB] 94s Get:3 http://ftpmaster.internal/ubuntu questing/universe lammps 20240207+dfsg-3build3 (diff) [17.4 kB] 94s gpgv: Signature made Tue Feb 25 20:55:58 2025 UTC 94s gpgv: using RSA key B8340990283D8D9BC1949AC74799A35146D12B35 94s gpgv: Can't check signature: No public key 94s dpkg-source: warning: cannot verify inline signature for ./lammps_20240207+dfsg-3build3.dsc: no acceptable signature found 100s autopkgtest [11:56:27]: testing package lammps version 20240207+dfsg-3build3 101s autopkgtest [11:56:28]: build not needed 120s autopkgtest [11:56:47]: test crack: preparing testbed 120s Reading package lists... 121s Building dependency tree... 121s Reading state information... 121s Starting pkgProblemResolver with broken count: 0 121s Starting 2 pkgProblemResolver with broken count: 0 121s Done 121s The following NEW packages will be installed: 121s fontconfig-config fonts-dejavu-core fonts-dejavu-mono lammps lammps-data 121s libaec0 libamd-comgr2 libamdhip64-5 libblas3 libcairo2 libdeflate0 121s libdouble-conversion3 libdrm-intel1 libevent-pthreads-2.1-7t64 libfabric1 121s libfftw3-double3 libfontconfig1 libgbm1 libgfortran5 libgl1 libgl1-mesa-dri 121s libgl2ps1.4 libglew2.2 libglvnd0 libglx-mesa0 libglx0 libgomp1 libhdf5-310 121s libhdf5-hl-310 libhsa-runtime64-1 libhsakmt1 libhwloc-plugins libhwloc15 121s libibmad5 libibumad3 libjbig0 libjpeg-turbo8 libjpeg8 libjsoncpp26 121s libkim-api2 liblammps0t64 liblapack3 liblerc4 libllvm17t64 libmunge2 121s libnetcdf22 libogg0 libopengl0 libopenmpi40 libpciaccess0 libpixman-1-0 121s libpmix2t64 libpnetcdf6 libproj25 libpsm-infinipath1 libpsm2-2 librdmacm1t64 121s libsharpyuv0 libsz2 libtbb12 libtbbbind-2-5 libtbbmalloc2 libtcl8.6 121s libtheoradec1 libtheoraenc1 libtiff6 libtk8.6 libucx0 libvoro++1 libvtk9.3 121s libvulkan1 libwayland-server0 libwebp7 libx11-xcb1 libxcb-dri3-0 libxcb-glx0 121s libxcb-present0 libxcb-randr0 libxcb-render0 libxcb-shm0 libxcb-sync1 121s libxcb-xfixes0 libxft2 libxnvctrl0 libxrender1 libxshmfence1 libxss1 121s libxxf86vm1 mesa-libgallium mpi-default-bin ocl-icd-libopencl1 openmpi-bin 121s openmpi-common proj-data x11-common 122s 0 upgraded, 95 newly installed, 0 to remove and 0 not upgraded. 122s Need to get 139 MB of archives. 122s After this operation, 607 MB of additional disk space will be used. 122s Get:1 http://ftpmaster.internal/ubuntu questing/main amd64 fonts-dejavu-mono all 2.37-8 [502 kB] 122s Get:2 http://ftpmaster.internal/ubuntu questing/main amd64 fonts-dejavu-core all 2.37-8 [835 kB] 122s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 fontconfig-config amd64 2.15.0-2.2ubuntu1 [37.8 kB] 122s Get:4 http://ftpmaster.internal/ubuntu questing/universe amd64 lammps-data all 20240207+dfsg-3build3 [9732 kB] 122s Get:5 http://ftpmaster.internal/ubuntu questing/universe amd64 libaec0 amd64 1.1.3-1 [22.7 kB] 122s Get:6 http://ftpmaster.internal/ubuntu questing/universe amd64 libllvm17t64 amd64 1:17.0.6-21 [26.0 MB] 123s Get:7 http://ftpmaster.internal/ubuntu questing/universe amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3build2 [14.4 MB] 124s Get:8 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsakmt1 amd64 5.7.0-1build1 [62.9 kB] 124s Get:9 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsa-runtime64-1 amd64 5.7.1-2build1 [491 kB] 124s Get:10 http://ftpmaster.internal/ubuntu questing/universe amd64 libamdhip64-5 amd64 5.7.1-5build1 [9702 kB] 124s Get:11 http://ftpmaster.internal/ubuntu questing/main amd64 libblas3 amd64 3.12.1-2 [359 kB] 124s Get:12 http://ftpmaster.internal/ubuntu questing/main amd64 libfontconfig1 amd64 2.15.0-2.2ubuntu1 [164 kB] 124s Get:13 http://ftpmaster.internal/ubuntu questing/main amd64 libpixman-1-0 amd64 0.44.0-3 [427 kB] 124s Get:14 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-render0 amd64 1.17.0-2 [16.2 kB] 124s Get:15 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-shm0 amd64 1.17.0-2 [5758 B] 124s Get:16 http://ftpmaster.internal/ubuntu questing/main amd64 libxrender1 amd64 1:0.9.10-1.1build1 [19.0 kB] 124s Get:17 http://ftpmaster.internal/ubuntu questing/main amd64 libcairo2 amd64 1.18.4-1 [662 kB] 124s Get:18 http://ftpmaster.internal/ubuntu questing/main amd64 libdeflate0 amd64 1.23-2 [49.9 kB] 124s Get:19 http://ftpmaster.internal/ubuntu questing/universe amd64 libdouble-conversion3 amd64 3.3.1-1 [41.7 kB] 124s Get:20 http://ftpmaster.internal/ubuntu questing/main amd64 libpciaccess0 amd64 0.17-3build1 [18.6 kB] 124s Get:21 http://ftpmaster.internal/ubuntu questing/main amd64 libdrm-intel1 amd64 2.4.124-2 [68.9 kB] 124s Get:22 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10 [7966 B] 124s Get:23 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.4 [179 kB] 124s Get:24 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm2-2 amd64 11.2.185-2.1 [193 kB] 124s Get:25 http://ftpmaster.internal/ubuntu questing/main amd64 librdmacm1t64 amd64 56.0-4ubuntu1 [71.5 kB] 124s Get:26 http://ftpmaster.internal/ubuntu questing/universe amd64 libfabric1 amd64 1.17.0-3.1 [789 kB] 124s Get:27 http://ftpmaster.internal/ubuntu questing/main amd64 libgomp1 amd64 15-20250404-0ubuntu1 [151 kB] 124s Get:28 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-double3 amd64 3.3.10-2fakesync1build1 [839 kB] 124s Get:29 http://ftpmaster.internal/ubuntu questing/main amd64 libwayland-server0 amd64 1.23.1-3 [37.2 kB] 124s Get:30 http://ftpmaster.internal/ubuntu questing/main amd64 libx11-xcb1 amd64 2:1.8.10-2 [7944 B] 124s Get:31 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-dri3-0 amd64 1.17.0-2 [7508 B] 124s Get:32 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-present0 amd64 1.17.0-2 [6064 B] 124s Get:33 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-randr0 amd64 1.17.0-2 [17.9 kB] 124s Get:34 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-sync1 amd64 1.17.0-2 [9312 B] 124s Get:35 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-xfixes0 amd64 1.17.0-2 [10.2 kB] 124s Get:36 http://ftpmaster.internal/ubuntu questing/main amd64 libxshmfence1 amd64 1.3.3-1 [5262 B] 124s Get:37 http://ftpmaster.internal/ubuntu questing/main amd64 mesa-libgallium amd64 25.0.3-1ubuntu2 [12.1 MB] 125s Get:38 http://ftpmaster.internal/ubuntu questing/main amd64 libgbm1 amd64 25.0.3-1ubuntu2 [33.4 kB] 125s Get:39 http://ftpmaster.internal/ubuntu questing/main amd64 libgfortran5 amd64 15-20250404-0ubuntu1 [926 kB] 125s Get:40 http://ftpmaster.internal/ubuntu questing/main amd64 libvulkan1 amd64 1.4.304.0-1 [147 kB] 125s Get:41 http://ftpmaster.internal/ubuntu questing/main amd64 libgl1-mesa-dri amd64 25.0.3-1ubuntu2 [35.7 kB] 125s Get:42 http://ftpmaster.internal/ubuntu questing/main amd64 libglvnd0 amd64 1.7.0-1build1 [69.6 kB] 125s Get:43 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-glx0 amd64 1.17.0-2 [24.8 kB] 125s Get:44 http://ftpmaster.internal/ubuntu questing/main amd64 libxxf86vm1 amd64 1:1.1.4-1build4 [9282 B] 125s Get:45 http://ftpmaster.internal/ubuntu questing/main amd64 libglx-mesa0 amd64 25.0.3-1ubuntu2 [146 kB] 125s Get:46 http://ftpmaster.internal/ubuntu questing/main amd64 libglx0 amd64 1.7.0-1build1 [38.6 kB] 125s Get:47 http://ftpmaster.internal/ubuntu questing/main amd64 libgl1 amd64 1.7.0-1build1 [102 kB] 125s Get:48 http://ftpmaster.internal/ubuntu questing/universe amd64 libgl2ps1.4 amd64 1.4.2+dfsg1-2build1 [41.9 kB] 125s Get:49 http://ftpmaster.internal/ubuntu questing/universe amd64 libglew2.2 amd64 2.2.0-4build1 [187 kB] 125s Get:50 http://ftpmaster.internal/ubuntu questing/universe amd64 libsz2 amd64 1.1.3-1 [5456 B] 125s Get:51 http://ftpmaster.internal/ubuntu questing/universe amd64 libhdf5-310 amd64 1.14.5+repack-3 [1519 kB] 125s Get:52 http://ftpmaster.internal/ubuntu questing/universe amd64 libhdf5-hl-310 amd64 1.14.5+repack-3 [62.6 kB] 125s Get:53 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc15 amd64 2.12.0-1 [194 kB] 125s Get:54 http://ftpmaster.internal/ubuntu questing/main amd64 libjpeg-turbo8 amd64 2.1.5-3ubuntu2 [179 kB] 125s Get:55 http://ftpmaster.internal/ubuntu questing/main amd64 libjpeg8 amd64 8c-2ubuntu11 [2148 B] 125s Get:56 http://ftpmaster.internal/ubuntu questing/main amd64 libjsoncpp26 amd64 1.9.6-3 [90.0 kB] 125s Get:57 http://ftpmaster.internal/ubuntu questing/universe amd64 libkim-api2 amd64 2.3.0-1ubuntu1 [588 kB] 125s Get:58 http://ftpmaster.internal/ubuntu questing/main amd64 liblapack3 amd64 3.12.1-2 [3179 kB] 125s Get:59 http://ftpmaster.internal/ubuntu questing/universe amd64 libnetcdf22 amd64 1:4.9.3-1 [574 kB] 125s Get:60 http://ftpmaster.internal/ubuntu questing/universe amd64 libmunge2 amd64 0.5.16-1 [16.5 kB] 125s Get:61 http://ftpmaster.internal/ubuntu questing/main amd64 libxnvctrl0 amd64 510.47.03-0ubuntu4 [12.6 kB] 125s Get:62 http://ftpmaster.internal/ubuntu questing/universe amd64 ocl-icd-libopencl1 amd64 2.3.2-1build1 [38.5 kB] 125s Get:63 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc-plugins amd64 2.12.0-1 [16.0 kB] 125s Get:64 http://ftpmaster.internal/ubuntu questing/universe amd64 libpmix2t64 amd64 5.0.6-5 [714 kB] 125s Get:65 http://ftpmaster.internal/ubuntu questing/main amd64 libibumad3 amd64 56.0-4ubuntu1 [31.2 kB] 125s Get:66 http://ftpmaster.internal/ubuntu questing/main amd64 libibmad5 amd64 56.0-4ubuntu1 [43.9 kB] 125s Get:67 http://ftpmaster.internal/ubuntu questing/universe amd64 libucx0 amd64 1.18.1+ds-2 [1293 kB] 125s Get:68 http://ftpmaster.internal/ubuntu questing/universe amd64 libopenmpi40 amd64 5.0.7-1 [2526 kB] 125s Get:69 http://ftpmaster.internal/ubuntu questing/universe amd64 libpnetcdf6 amd64 1.14.0-2 [1059 kB] 125s Get:70 http://ftpmaster.internal/ubuntu questing/universe amd64 libvoro++1 amd64 0.5+revert-to-0.4.6+dfsg1-1 [119 kB] 125s Get:71 http://ftpmaster.internal/ubuntu questing/main amd64 libogg0 amd64 1.3.5-3build1 [22.7 kB] 125s Get:72 http://ftpmaster.internal/ubuntu questing/main amd64 libopengl0 amd64 1.7.0-1build1 [32.8 kB] 125s Get:73 http://ftpmaster.internal/ubuntu questing/universe amd64 proj-data all 9.5.1-1 [7924 kB] 125s Get:74 http://ftpmaster.internal/ubuntu questing/main amd64 libjbig0 amd64 2.1-6.1ubuntu2 [29.7 kB] 125s Get:75 http://ftpmaster.internal/ubuntu questing/main amd64 liblerc4 amd64 4.0.0+ds-5ubuntu1 [271 kB] 125s Get:76 http://ftpmaster.internal/ubuntu questing/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [25.9 kB] 125s Get:77 http://ftpmaster.internal/ubuntu questing/main amd64 libwebp7 amd64 1.5.0-0.1 [378 kB] 125s Get:78 http://ftpmaster.internal/ubuntu questing/main amd64 libtiff6 amd64 4.7.0-3ubuntu1 [204 kB] 125s Get:79 http://ftpmaster.internal/ubuntu questing/universe amd64 libproj25 amd64 9.5.1-1 [1499 kB] 126s Get:80 http://ftpmaster.internal/ubuntu questing/universe amd64 libtbbbind-2-5 amd64 2022.0.0-2 [15.8 kB] 126s Get:81 http://ftpmaster.internal/ubuntu questing/universe amd64 libtbbmalloc2 amd64 2022.0.0-2 [55.7 kB] 126s Get:82 http://ftpmaster.internal/ubuntu questing/universe amd64 libtbb12 amd64 2022.0.0-2 [103 kB] 126s Get:83 http://ftpmaster.internal/ubuntu questing/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1086 kB] 126s Get:84 http://ftpmaster.internal/ubuntu questing/main amd64 libtheoradec1 amd64 1.2.0~alpha1+dfsg-6 [70.3 kB] 126s Get:85 http://ftpmaster.internal/ubuntu questing/main amd64 libtheoraenc1 amd64 1.2.0~alpha1+dfsg-6 [115 kB] 126s Get:86 http://ftpmaster.internal/ubuntu questing/main amd64 libxft2 amd64 2.3.6-1build1 [45.3 kB] 126s Get:87 http://ftpmaster.internal/ubuntu questing/main amd64 x11-common all 1:7.7+23ubuntu4 [21.8 kB] 126s Get:88 http://ftpmaster.internal/ubuntu questing/main amd64 libxss1 amd64 1:1.2.3-1build3 [7204 B] 126s Get:89 http://ftpmaster.internal/ubuntu questing/main amd64 libtk8.6 amd64 8.6.16-1 [868 kB] 126s Get:90 http://ftpmaster.internal/ubuntu questing/universe amd64 libvtk9.3 amd64 9.3.0+dfsg1-4ubuntu1 [25.3 MB] 127s Get:91 http://ftpmaster.internal/ubuntu questing/universe amd64 liblammps0t64 amd64 20240207+dfsg-3build3 [8393 kB] 127s Get:92 http://ftpmaster.internal/ubuntu questing/universe amd64 openmpi-common all 5.0.7-1 [97.9 kB] 127s Get:93 http://ftpmaster.internal/ubuntu questing/universe amd64 openmpi-bin amd64 5.0.7-1 [192 kB] 127s Get:94 http://ftpmaster.internal/ubuntu questing/universe amd64 mpi-default-bin amd64 1.18 [2510 B] 127s Get:95 http://ftpmaster.internal/ubuntu questing/universe amd64 lammps amd64 20240207+dfsg-3build3 [15.4 kB] 128s Fetched 139 MB in 6s (24.4 MB/s) 128s Selecting previously unselected package fonts-dejavu-mono. 128s (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 ... 80514 files and directories currently installed.) 128s Preparing to unpack .../00-fonts-dejavu-mono_2.37-8_all.deb ... 128s Unpacking fonts-dejavu-mono (2.37-8) ... 128s Selecting previously unselected package fonts-dejavu-core. 128s Preparing to unpack .../01-fonts-dejavu-core_2.37-8_all.deb ... 128s Unpacking fonts-dejavu-core (2.37-8) ... 128s Selecting previously unselected package fontconfig-config. 128s Preparing to unpack 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package libdouble-conversion3:amd64. 130s Preparing to unpack .../18-libdouble-conversion3_3.3.1-1_amd64.deb ... 130s Unpacking libdouble-conversion3:amd64 (3.3.1-1) ... 130s Selecting previously unselected package libpciaccess0:amd64. 130s Preparing to unpack .../19-libpciaccess0_0.17-3build1_amd64.deb ... 130s Unpacking libpciaccess0:amd64 (0.17-3build1) ... 130s Selecting previously unselected package libdrm-intel1:amd64. 130s Preparing to unpack .../20-libdrm-intel1_2.4.124-2_amd64.deb ... 130s Unpacking libdrm-intel1:amd64 (2.4.124-2) ... 130s Selecting previously unselected package libevent-pthreads-2.1-7t64:amd64. 130s Preparing to unpack .../21-libevent-pthreads-2.1-7t64_2.1.12-stable-10_amd64.deb ... 130s Unpacking libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... 130s Selecting previously unselected package libpsm-infinipath1. 130s Preparing to unpack .../22-libpsm-infinipath1_3.3+20.604758e7-6.4_amd64.deb ... 130s Unpacking libpsm-infinipath1 (3.3+20.604758e7-6.4) ... 130s Selecting previously unselected package libpsm2-2. 130s Preparing to unpack .../23-libpsm2-2_11.2.185-2.1_amd64.deb ... 130s Unpacking libpsm2-2 (11.2.185-2.1) ... 130s Selecting previously unselected package librdmacm1t64:amd64. 130s Preparing to unpack .../24-librdmacm1t64_56.0-4ubuntu1_amd64.deb ... 130s Unpacking librdmacm1t64:amd64 (56.0-4ubuntu1) ... 130s Selecting previously unselected package libfabric1:amd64. 130s Preparing to unpack .../25-libfabric1_1.17.0-3.1_amd64.deb ... 130s Unpacking libfabric1:amd64 (1.17.0-3.1) ... 130s Selecting previously unselected package libgomp1:amd64. 130s Preparing to unpack .../26-libgomp1_15-20250404-0ubuntu1_amd64.deb ... 130s Unpacking libgomp1:amd64 (15-20250404-0ubuntu1) ... 130s Selecting previously unselected package libfftw3-double3:amd64. 130s Preparing to unpack .../27-libfftw3-double3_3.3.10-2fakesync1build1_amd64.deb ... 130s Unpacking libfftw3-double3:amd64 (3.3.10-2fakesync1build1) ... 130s Selecting previously unselected package libwayland-server0:amd64. 130s Preparing to unpack .../28-libwayland-server0_1.23.1-3_amd64.deb ... 130s Unpacking libwayland-server0:amd64 (1.23.1-3) ... 130s Selecting previously unselected package libx11-xcb1:amd64. 130s Preparing to unpack .../29-libx11-xcb1_2%3a1.8.10-2_amd64.deb ... 130s Unpacking libx11-xcb1:amd64 (2:1.8.10-2) ... 130s Selecting previously unselected package libxcb-dri3-0:amd64. 130s Preparing to unpack .../30-libxcb-dri3-0_1.17.0-2_amd64.deb ... 130s Unpacking libxcb-dri3-0:amd64 (1.17.0-2) ... 130s Selecting previously unselected package libxcb-present0:amd64. 130s Preparing to unpack .../31-libxcb-present0_1.17.0-2_amd64.deb ... 130s Unpacking libxcb-present0:amd64 (1.17.0-2) ... 130s Selecting previously unselected package libxcb-randr0:amd64. 130s Preparing to unpack .../32-libxcb-randr0_1.17.0-2_amd64.deb ... 130s Unpacking libxcb-randr0:amd64 (1.17.0-2) ... 130s Selecting previously unselected package libxcb-sync1:amd64. 130s Preparing to unpack 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131s Selecting previously unselected package libglx-mesa0:amd64. 131s Preparing to unpack .../44-libglx-mesa0_25.0.3-1ubuntu2_amd64.deb ... 131s Unpacking libglx-mesa0:amd64 (25.0.3-1ubuntu2) ... 131s Selecting previously unselected package libglx0:amd64. 131s Preparing to unpack .../45-libglx0_1.7.0-1build1_amd64.deb ... 131s Unpacking libglx0:amd64 (1.7.0-1build1) ... 131s Selecting previously unselected package libgl1:amd64. 131s Preparing to unpack .../46-libgl1_1.7.0-1build1_amd64.deb ... 131s Unpacking libgl1:amd64 (1.7.0-1build1) ... 131s Selecting previously unselected package libgl2ps1.4. 131s Preparing to unpack .../47-libgl2ps1.4_1.4.2+dfsg1-2build1_amd64.deb ... 131s Unpacking libgl2ps1.4 (1.4.2+dfsg1-2build1) ... 131s Selecting previously unselected package libglew2.2:amd64. 131s Preparing to unpack .../48-libglew2.2_2.2.0-4build1_amd64.deb ... 131s Unpacking libglew2.2:amd64 (2.2.0-4build1) ... 131s Selecting previously unselected package libsz2:amd64. 131s Preparing to 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132s Selecting previously unselected package libtcl8.6:amd64. 132s Preparing to unpack .../82-libtcl8.6_8.6.16+dfsg-1_amd64.deb ... 132s Unpacking libtcl8.6:amd64 (8.6.16+dfsg-1) ... 132s Selecting previously unselected package libtheoradec1:amd64. 132s Preparing to unpack .../83-libtheoradec1_1.2.0~alpha1+dfsg-6_amd64.deb ... 132s Unpacking libtheoradec1:amd64 (1.2.0~alpha1+dfsg-6) ... 133s Selecting previously unselected package libtheoraenc1:amd64. 133s Preparing to unpack .../84-libtheoraenc1_1.2.0~alpha1+dfsg-6_amd64.deb ... 133s Unpacking libtheoraenc1:amd64 (1.2.0~alpha1+dfsg-6) ... 133s Selecting previously unselected package libxft2:amd64. 133s Preparing to unpack .../85-libxft2_2.3.6-1build1_amd64.deb ... 133s Unpacking libxft2:amd64 (2.3.6-1build1) ... 133s Selecting previously unselected package x11-common. 133s Preparing to unpack .../86-x11-common_1%3a7.7+23ubuntu4_all.deb ... 133s Unpacking x11-common (1:7.7+23ubuntu4) ... 133s Selecting previously unselected package libxss1:amd64. 133s Preparing to unpack .../87-libxss1_1%3a1.2.3-1build3_amd64.deb ... 133s Unpacking libxss1:amd64 (1:1.2.3-1build3) ... 133s Selecting previously unselected package libtk8.6:amd64. 133s Preparing to unpack .../88-libtk8.6_8.6.16-1_amd64.deb ... 133s Unpacking libtk8.6:amd64 (8.6.16-1) ... 133s Selecting previously unselected package libvtk9.3:amd64. 133s Preparing to unpack .../89-libvtk9.3_9.3.0+dfsg1-4ubuntu1_amd64.deb ... 133s Unpacking libvtk9.3:amd64 (9.3.0+dfsg1-4ubuntu1) ... 134s Selecting previously unselected package liblammps0t64:amd64. 134s Preparing to unpack .../90-liblammps0t64_20240207+dfsg-3build3_amd64.deb ... 134s Unpacking liblammps0t64:amd64 (20240207+dfsg-3build3) ... 134s Selecting previously unselected package openmpi-common. 134s Preparing to unpack .../91-openmpi-common_5.0.7-1_all.deb ... 134s Unpacking openmpi-common (5.0.7-1) ... 134s Selecting previously unselected package openmpi-bin. 134s Preparing to unpack .../92-openmpi-bin_5.0.7-1_amd64.deb ... 134s Unpacking openmpi-bin (5.0.7-1) ... 134s Selecting previously unselected package mpi-default-bin. 134s Preparing to unpack .../93-mpi-default-bin_1.18_amd64.deb ... 134s Unpacking mpi-default-bin (1.18) ... 134s Selecting previously unselected package lammps. 134s Preparing to unpack .../94-lammps_20240207+dfsg-3build3_amd64.deb ... 134s Unpacking lammps (20240207+dfsg-3build3) ... 134s Setting up libxcb-dri3-0:amd64 (1.17.0-2) ... 134s Setting up libtbbmalloc2:amd64 (2022.0.0-2) ... 134s Setting up libpixman-1-0:amd64 (0.44.0-3) ... 134s Setting up libsharpyuv0:amd64 (1.5.0-0.1) ... 134s Setting up libwayland-server0:amd64 (1.23.1-3) ... 134s Setting up libx11-xcb1:amd64 (2:1.8.10-2) ... 134s Setting up libpciaccess0:amd64 (0.17-3build1) ... 134s Setting up libdouble-conversion3:amd64 (3.3.1-1) ... 134s Setting up libxcb-xfixes0:amd64 (1.17.0-2) ... 134s Setting up libogg0:amd64 (1.3.5-3build1) ... 134s Setting up liblerc4:amd64 (4.0.0+ds-5ubuntu1) ... 134s Setting up proj-data (9.5.1-1) ... 134s Setting up libxrender1:amd64 (1:0.9.10-1.1build1) ... 134s Setting up lammps-data (20240207+dfsg-3build3) ... 134s Setting up libxcb-render0:amd64 (1.17.0-2) ... 134s Setting up libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... 134s Setting up libglvnd0:amd64 (1.7.0-1build1) ... 134s Setting up libxcb-glx0:amd64 (1.17.0-2) ... 134s Setting up libdrm-intel1:amd64 (2.4.124-2) ... 134s Setting up x11-common (1:7.7+23ubuntu4) ... 134s Setting up libibumad3:amd64 (56.0-4ubuntu1) ... 134s Setting up libdeflate0:amd64 (1.23-2) ... 134s Setting up libxcb-shm0:amd64 (1.17.0-2) ... 134s Setting up libibmad5:amd64 (56.0-4ubuntu1) ... 134s Setting up libgomp1:amd64 (15-20250404-0ubuntu1) ... 134s Setting up libjbig0:amd64 (2.1-6.1ubuntu2) ... 134s Setting up libaec0:amd64 (1.1.3-1) ... 134s Setting up libopengl0:amd64 (1.7.0-1build1) ... 134s Setting up libxxf86vm1:amd64 (1:1.1.4-1build4) ... 134s Setting up libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... 134s Setting up libxcb-present0:amd64 (1.17.0-2) ... 135s Setting up libtheoraenc1:amd64 (1.2.0~alpha1+dfsg-6) ... 135s Setting up libblas3:amd64 (3.12.1-2) ... 135s 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 135s Setting up libmunge2:amd64 (0.5.16-1) ... 135s Setting up libllvm17t64:amd64 (1:17.0.6-21) ... 135s Setting up libxcb-sync1:amd64 (1.17.0-2) ... 135s Setting up libjsoncpp26:amd64 (1.9.6-3) ... 135s Setting up fonts-dejavu-mono (2.37-8) ... 135s Setting up libhwloc15:amd64 (2.12.0-1) ... 135s Setting up libtcl8.6:amd64 (8.6.16+dfsg-1) ... 135s Setting up fonts-dejavu-core (2.37-8) ... 135s Setting up libjpeg-turbo8:amd64 (2.1.5-3ubuntu2) ... 135s Setting up libfftw3-double3:amd64 (3.3.10-2fakesync1build1) ... 135s Setting up libgfortran5:amd64 (15-20250404-0ubuntu1) ... 135s Setting up libvulkan1:amd64 (1.4.304.0-1) ... 135s Setting up libwebp7:amd64 (1.5.0-0.1) ... 135s Setting up ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... 135s Setting up libxshmfence1:amd64 (1.3.3-1) ... 135s Setting up libxcb-randr0:amd64 (1.17.0-2) ... 135s Setting up libpsm2-2 (11.2.185-2.1) ... 135s Setting up openmpi-common (5.0.7-1) ... 135s Setting up librdmacm1t64:amd64 (56.0-4ubuntu1) ... 135s Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build2) ... 135s Setting up libxss1:amd64 (1:1.2.3-1build3) ... 135s Setting up libpsm-infinipath1 (3.3+20.604758e7-6.4) ... 135s 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 135s Setting up libvoro++1 (0.5+revert-to-0.4.6+dfsg1-1) ... 135s Setting up libhsakmt1:amd64 (5.7.0-1build1) ... 135s Setting up libsz2:amd64 (1.1.3-1) ... 135s Setting up libjpeg8:amd64 (8c-2ubuntu11) ... 135s Setting up libfabric1:amd64 (1.17.0-3.1) ... 135s Setting up mesa-libgallium:amd64 (25.0.3-1ubuntu2) ... 135s Setting up liblapack3:amd64 (3.12.1-2) ... 135s 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 135s Setting up libgbm1:amd64 (25.0.3-1ubuntu2) ... 135s Setting up fontconfig-config (2.15.0-2.2ubuntu1) ... 135s Setting up libgl1-mesa-dri:amd64 (25.0.3-1ubuntu2) ... 135s Setting up libkim-api2:amd64 (2.3.0-1ubuntu1) ... 135s Setting up libhwloc-plugins:amd64 (2.12.0-1) ... 135s Setting up libtbbbind-2-5:amd64 (2022.0.0-2) ... 135s Setting up libpmix2t64:amd64 (5.0.6-5) ... 135s Setting up libhdf5-310:amd64 (1.14.5+repack-3) ... 135s Setting up libtiff6:amd64 (4.7.0-3ubuntu1) ... 135s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 135s Setting up libfontconfig1:amd64 (2.15.0-2.2ubuntu1) ... 135s Setting up libhdf5-hl-310:amd64 (1.14.5+repack-3) ... 135s Setting up libxft2:amd64 (2.3.6-1build1) ... 135s Setting up libglx-mesa0:amd64 (25.0.3-1ubuntu2) ... 135s Setting up libglx0:amd64 (1.7.0-1build1) ... 135s Setting up libproj25:amd64 (9.5.1-1) ... 135s Setting up libtk8.6:amd64 (8.6.16-1) ... 135s Setting up libnetcdf22:amd64 (1:4.9.3-1) ... 135s Setting up libtbb12:amd64 (2022.0.0-2) ... 135s Setting up libcairo2:amd64 (1.18.4-1) ... 135s Setting up libgl1:amd64 (1.7.0-1build1) ... 135s Setting up libamdhip64-5 (5.7.1-5build1) ... 135s Setting up libtheoradec1:amd64 (1.2.0~alpha1+dfsg-6) ... 135s Setting up libglew2.2:amd64 (2.2.0-4build1) ... 135s Setting up libucx0:amd64 (1.18.1+ds-2) ... 135s Setting up libgl2ps1.4 (1.4.2+dfsg1-2build1) ... 135s Setting up libopenmpi40:amd64 (5.0.7-1) ... 135s Setting up libpnetcdf6:amd64 (1.14.0-2) ... 135s Setting up libvtk9.3:amd64 (9.3.0+dfsg1-4ubuntu1) ... 135s Setting up openmpi-bin (5.0.7-1) ... 135s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 135s update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist 135s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 135s Setting up mpi-default-bin (1.18) ... 135s Setting up liblammps0t64:amd64 (20240207+dfsg-3build3) ... 135s Setting up lammps (20240207+dfsg-3build3) ... 135s Processing triggers for man-db (2.13.0-1) ... 135s Processing triggers for libc-bin (2.41-6ubuntu1) ... 136s autopkgtest [11:57:03]: test crack: [----------------------- 137s LAMMPS (7 Feb 2024 - Update 1) 137s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 137s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 137s using 1 OpenMP thread(s) per MPI task 137s Lattice spacing in x,y,z = 1.1142771 1.9299846 1.1142771 137s Created orthogonal box = (0 0 -0.27856928) to (111.42771 77.199383 0.27856928) 137s 2 by 1 by 1 MPI processor grid 137s Created 8141 atoms 137s using lattice units in orthogonal box = (-0.011142771 -0.0077199383 -0.27856928) to (111.43885 77.207103 0.27856928) 137s create_atoms CPU = 0.002 seconds 137s 302 atoms in group lower 137s 302 atoms in group upper 137s 604 atoms in group boundary 137s 7537 atoms in group mobile 137s 841 atoms in group leftupper 137s 841 atoms in group leftlower 137s Setting atom values ... 137s 841 settings made for type 137s Setting atom values ... 137s 841 settings made for type 137s Setting atom values ... 137s 302 settings made for type 137s Setting atom values ... 137s 302 settings made for type 137s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 137s Generated 0 of 10 mixed pair_coeff terms from geometric mixing rule 137s Neighbor list info ... 137s update: every = 1 steps, delay = 5 steps, check = yes 137s max neighbors/atom: 2000, page size: 100000 137s master list distance cutoff = 2.8 137s ghost atom cutoff = 2.8 137s binsize = 1.4, bins = 80 56 1 137s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 137s (1) pair lj/cut, perpetual 137s attributes: half, newton on 137s pair build: half/bin/atomonly/newton 137s stencil: half/bin/2d 137s bin: standard 137s Setting up Verlet run ... 137s Unit style : lj 137s Current step : 0 137s Time step : 0.003 137s Per MPI rank memory allocation (min/avg/max) = 3.097 | 3.097 | 3.097 Mbytes 137s Step Temp E_pair E_mol TotEng Press Volume 137s 0 0.065993465 -3.2595015 0 -3.1984123 -0.035939913 8605.5917 137s 200 0.060035253 -3.2531886 0 -3.1976149 -0.22757684 8638.5331 137s 400 0.06054278 -3.2510706 0 -3.1950271 -0.42811733 8677.8288 137s 600 0.060576995 -3.246816 0 -3.1907408 -0.60017647 8717.6131 137s 800 0.060802753 -3.2413477 0 -3.1850635 -0.74499308 8756.4512 138s 1000 0.061812114 -3.2349942 0 -3.1777756 -0.87130079 8796.9575 138s 1200 0.06317147 -3.2277552 0 -3.1692783 -0.98010628 8823.1488 138s 1400 0.065125405 -3.2198031 0 -3.1595175 -1.0690179 8858.8358 138s 1600 0.06725411 -3.2111272 0 -3.148871 -1.1440993 8892.6607 138s 1800 0.069389572 -3.2019689 0 -3.137736 -1.199078 8933.7591 138s 2000 0.071276448 -3.1921621 0 -3.1261826 -1.239553 8969.0463 138s 2200 0.073243486 -3.1818809 0 -3.1140805 -1.264839 8997.6559 138s 2400 0.075063494 -3.1711703 0 -3.1016851 -1.2772278 9038.4932 138s 2600 0.076789207 -3.1600658 0 -3.0889832 -1.2754953 9073.4997 138s 2800 0.07875979 -3.1487143 0 -3.0758075 -1.2637926 9106.2245 138s 3000 0.080591853 -3.1372361 0 -3.0626334 -1.2388824 9142.7862 139s 3200 0.08227693 -3.125423 0 -3.0492605 -1.2055283 9169.4322 139s 3400 0.084289444 -3.1136554 0 -3.03563 -1.1672422 9204.8205 139s 3600 0.086720297 -3.1021183 0 -3.0218427 -1.126381 9233.2656 139s 3800 0.089264018 -3.0909262 0 -3.0082959 -1.0899774 9265.4143 139s 4000 0.091377688 -3.0795096 0 -2.9949227 -1.0580229 9297.6799 139s 4200 0.092665135 -3.0678736 0 -2.9820949 -1.0390124 9331.6135 139s 4400 0.09055434 -3.0560482 0 -2.9722234 -1.0323741 9362.2075 139s 4600 0.088763719 -3.0446018 0 -2.9624346 -1.027693 9391.6949 139s 4800 0.089467982 -3.0337452 0 -2.950926 -1.0232092 9427.4155 140s 5000 0.089910902 -3.0237571 0 -2.9405279 -1.0174796 9452.031 140s Loop time of 2.51594 on 2 procs for 5000 steps with 8141 atoms 140s 140s Performance: 515115.747 tau/day, 1987.329 timesteps/s, 16.179 Matom-step/s 140s 98.3% CPU use with 2 MPI tasks x 1 OpenMP threads 140s 140s MPI task timing breakdown: 140s Section | min time | avg time | max time |%varavg| %total 140s --------------------------------------------------------------- 140s Pair | 1.7211 | 1.7241 | 1.7271 | 0.2 | 68.53 140s Neigh | 0.12082 | 0.12903 | 0.13724 | 2.3 | 5.13 140s Comm | 0.30243 | 0.31913 | 0.33582 | 3.0 | 12.68 140s Output | 0.00098877 | 0.001883 | 0.0027773 | 2.1 | 0.07 140s Modify | 0.25604 | 0.25695 | 0.25786 | 0.2 | 10.21 140s Other | | 0.08484 | | | 3.37 140s 140s Nlocal: 4070.5 ave 4085 max 4056 min 140s Histogram: 1 0 0 0 0 0 0 0 0 1 140s Nghost: 207 ave 208 max 206 min 140s Histogram: 1 0 0 0 0 0 0 0 0 1 140s Neighs: 35700 ave 35927 max 35473 min 140s Histogram: 1 0 0 0 0 0 0 0 0 1 140s 140s Total # of neighbors = 71400 140s Ave neighs/atom = 8.7704213 140s Neighbor list builds = 106 140s Dangerous builds = 0 140s Total wall time: 0:00:02 140s LAMMPS (7 Feb 2024 - Update 1) 144s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 144s using 1 OpenMP thread(s) per MPI task 144s Lattice spacing in x,y,z = 1.1142771 1.9299846 1.1142771 144s Created orthogonal box = (0 0 -0.27856928) to (111.42771 77.199383 0.27856928) 144s 1 by 1 by 1 MPI processor grid 144s Created 8141 atoms 144s using lattice units in orthogonal box = (-0.011142771 -0.0077199383 -0.27856928) to (111.43885 77.207103 0.27856928) 144s create_atoms CPU = 0.002 seconds 144s 302 atoms in group lower 144s 302 atoms in group upper 144s 604 atoms in group boundary 144s 7537 atoms in group mobile 144s 841 atoms in group leftupper 144s 841 atoms in group leftlower 144s Setting atom values ... 144s 841 settings made for type 144s Setting atom values ... 144s 841 settings made for type 144s Setting atom values ... 144s 302 settings made for type 144s Setting atom values ... 144s 302 settings made for type 144s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 144s Generated 0 of 10 mixed pair_coeff terms from geometric mixing rule 144s Neighbor list info ... 144s update: every = 1 steps, delay = 5 steps, check = yes 144s max neighbors/atom: 2000, page size: 100000 144s master list distance cutoff = 2.8 144s ghost atom cutoff = 2.8 144s binsize = 1.4, bins = 80 56 1 144s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 144s (1) pair lj/cut, perpetual 144s attributes: half, newton on 144s pair build: half/bin/atomonly/newton 144s stencil: half/bin/2d 144s bin: standard 144s Setting up Verlet run ... 144s Unit style : lj 144s Current step : 0 144s Time step : 0.003 144s Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes 144s Step Temp E_pair E_mol TotEng Press Volume 144s 0 0.065651733 -3.2595015 0 -3.1987287 -0.036239172 8605.5917 144s 200 0.060086376 -3.2531936 0 -3.1975725 -0.23125026 8638.8101 144s 400 0.060533553 -3.2509973 0 -3.1949623 -0.4305406 8679.2464 144s 600 0.06082965 -3.2466949 0 -3.1903858 -0.6028531 8716.7569 144s 800 0.061677224 -3.2413215 0 -3.1842278 -0.7482749 8756.226 144s 1000 0.062383731 -3.2349273 0 -3.1771796 -0.87425132 8793.1116 144s 1200 0.063709246 -3.2276094 0 -3.1686347 -0.98020161 8828.8863 144s 1400 0.065404552 -3.2196608 0 -3.1591168 -1.0695384 8866.4893 144s 1600 0.067579602 -3.2110378 0 -3.1484804 -1.1456387 8900.6772 144s 1800 0.069324241 -3.2018536 0 -3.1376812 -1.2020999 8933.017 144s 2000 0.071014927 -3.1921108 0 -3.1263733 -1.2430105 8963.9853 144s 2200 0.072992881 -3.1818701 0 -3.1143017 -1.2701297 9004.4136 144s 2400 0.075000723 -3.1712313 0 -3.1018043 -1.2830866 9034.9991 144s 2600 0.076843477 -3.1601004 0 -3.0889675 -1.27924 9072.1325 144s 2800 0.078671706 -3.1487747 0 -3.0759495 -1.2659604 9103.9526 144s 3000 0.080713586 -3.1373277 0 -3.0626123 -1.2440673 9134.552 144s 3200 0.08309469 -3.1260242 0 -3.0491047 -1.214547 9169.0003 144s 3400 0.085424766 -3.1146623 0 -3.0355859 -1.1839326 9206.909 144s 3600 0.087396485 -3.1029493 0 -3.0220477 -1.143412 9233.783 144s 3800 0.089007987 -3.090822 0 -3.0084286 -1.1000791 9259.0348 144s 4000 0.089813071 -3.0794078 0 -2.9962692 -1.062847 9281.82 144s 4200 0.08584753 -3.0668559 0 -2.9873882 -1.037972 9308.8113 144s 4400 0.086197517 -3.0559678 0 -2.9761761 -1.028843 9328.9666 144s 4600 0.086766447 -3.0437627 0 -2.9634443 -1.0208785 9361.9925 144s 4800 0.088195149 -3.0328502 0 -2.9512093 -1.0272063 9395.6122 144s 5000 0.089415266 -3.0228825 0 -2.9401122 -1.0215336 9436.1637 144s Loop time of 4.17864 on 1 procs for 5000 steps with 8141 atoms 144s 144s Performance: 310148.787 tau/day, 1196.562 timesteps/s, 9.741 Matom-step/s 144s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads 144s 144s MPI task timing breakdown: 144s Section | min time | avg time | max time |%varavg| %total 144s --------------------------------------------------------------- 144s Pair | 3.3434 | 3.3434 | 3.3434 | 0.0 | 80.01 144s Neigh | 0.22901 | 0.22901 | 0.22901 | 0.0 | 5.48 144s Comm | 0.0044956 | 0.0044956 | 0.0044956 | 0.0 | 0.11 144s Output | 0.0015112 | 0.0015112 | 0.0015112 | 0.0 | 0.04 144s Modify | 0.50046 | 0.50046 | 0.50046 | 0.0 | 11.98 144s Other | | 0.09976 | | | 2.39 144s 144s Nlocal: 8141 ave 8141 max 8141 min 144s Histogram: 1 0 0 0 0 0 0 0 0 0 144s Nghost: 0 ave 0 max 0 min 144s Histogram: 1 0 0 0 0 0 0 0 0 0 144s Neighs: 71389 ave 71389 max 71389 min 144s Histogram: 1 0 0 0 0 0 0 0 0 0 144s 144s Total # of neighbors = 71389 144s Ave neighs/atom = 8.7690701 144s Neighbor list builds = 100 144s Dangerous builds = 0 144s Total wall time: 0:00:04 144s run: OK 145s autopkgtest [11:57:12]: test crack: -----------------------] 145s crack PASS 145s autopkgtest [11:57:12]: test crack: - - - - - - - - - - results - - - - - - - - - - 145s autopkgtest [11:57:12]: test dipole: preparing testbed 146s Reading package lists... 146s Building dependency tree... 146s Reading state information... 146s Starting pkgProblemResolver with broken count: 0 146s Starting 2 pkgProblemResolver with broken count: 0 146s Done 147s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 148s autopkgtest [11:57:15]: test dipole: [----------------------- 148s LAMMPS (7 Feb 2024 - Update 1) 148s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 148s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 148s using 1 OpenMP thread(s) per MPI task 148s WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (src/atom_vec_hybrid.cpp:132) 148s Lattice spacing in x,y,z = 1.6903085 1.6903085 1.6903085 148s Created orthogonal box = (0 0 -0.84515425) to (16.903085 16.903085 0.84515425) 148s 2 by 1 by 1 MPI processor grid 148s Created 200 atoms 148s using lattice units in orthogonal box = (0 0 -0.84515425) to (16.903085 16.903085 0.84515425) 148s create_atoms CPU = 0.001 seconds 148s Setting atom values ... 148s 200 settings made for mass 148s Setting atom values ... 148s 200 settings made for dipole/random 148s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 148s Neighbor list info ... 148s update: every = 1 steps, delay = 0 steps, check = yes 148s max neighbors/atom: 2000, page size: 100000 148s master list distance cutoff = 2.8 148s ghost atom cutoff = 2.8 148s binsize = 1.4, bins = 13 13 2 148s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 148s (1) pair lj/cut/dipole/cut, perpetual 148s attributes: half, newton on 148s pair build: half/bin/atomonly/newton 148s stencil: half/bin/2d 148s bin: standard 148s Setting up Verlet run ... 148s Unit style : lj 148s Current step : 0 148s Time step : 0.005 148s Per MPI rank memory allocation (min/avg/max) = 5.049 | 5.049 | 5.049 Mbytes 148s Step Temp E_pair c_erot TotEng Press 148s 0 0 -2.1909822 0 -2.1909822 -2.5750971 148s 500 0.39335419 -2.7940623 0.20683255 -2.4026749 -0.24768899 148s 1000 0.45259485 -2.8743423 0.22311811 -2.4240104 -0.14864606 148s 1500 0.4211022 -2.8019061 0.19532181 -2.3829095 0.18067145 148s 2000 0.39019874 -2.7914862 0.22407011 -2.4032384 -0.40912648 148s 2500 0.40189542 -2.8134715 0.24278607 -2.4135855 -0.33547386 149s 3000 0.45253597 -2.8432831 0.22668907 -2.3930098 0.031945804 149s 3500 0.45543566 -2.80999 0.19086399 -2.3568315 0.029485295 149s 4000 0.40085091 -2.7761517 0.21847799 -2.3773051 -0.033769965 149s 4500 0.40189931 -2.7615835 0.20362841 -2.3616937 -0.17414063 149s 5000 0.41734987 -2.7649581 0.19662779 -2.349695 -0.36355203 149s 5500 0.39968404 -2.7679046 0.21787398 -2.370219 -0.2095 149s 6000 0.40475829 -2.8111506 0.26462853 -2.4084161 -0.073266954 149s 6500 0.41521558 -2.7828455 0.21593344 -2.369706 0.044857105 149s 7000 0.37923394 -2.7298781 0.19612107 -2.3525403 -0.41777291 149s 7500 0.42362281 -2.8061905 0.22489406 -2.3846858 0.26268515 149s 8000 0.43091638 -2.8618864 0.27325823 -2.4331247 -0.4441066 149s 8500 0.4921082 -2.8591309 0.21247682 -2.3694833 -0.1929702 149s 9000 0.42828025 -2.7900322 0.20827254 -2.3638934 -0.29757579 149s 9500 0.41689981 -2.7717449 0.21413721 -2.3569296 -0.16341068 149s 10000 0.46694926 -2.8131859 0.21390049 -2.3485714 -0.37713307 149s Loop time of 0.64955 on 2 procs for 10000 steps with 200 atoms 149s 149s Performance: 6650756.789 tau/day, 15395.270 timesteps/s, 3.079 Matom-step/s 149s 99.4% CPU use with 2 MPI tasks x 1 OpenMP threads 149s 149s MPI task timing breakdown: 149s Section | min time | avg time | max time |%varavg| %total 149s --------------------------------------------------------------- 149s Pair | 0.32389 | 0.3834 | 0.44291 | 9.6 | 59.02 149s Neigh | 0.017007 | 0.019283 | 0.02156 | 1.6 | 2.97 149s Comm | 0.11191 | 0.17597 | 0.24003 | 15.3 | 27.09 149s Output | 0.00043331 | 0.00083726 | 0.0012412 | 0.0 | 0.13 149s Modify | 0.040055 | 0.044171 | 0.048288 | 2.0 | 6.80 149s Other | | 0.02589 | | | 3.99 149s 149s Nlocal: 100 ave 101 max 99 min 149s Histogram: 1 0 0 0 0 0 0 0 0 1 149s Nghost: 129 ave 129 max 129 min 149s Histogram: 2 0 0 0 0 0 0 0 0 0 149s Neighs: 827.5 ave 843 max 812 min 149s Histogram: 1 0 0 0 0 0 0 0 0 1 149s 149s Total # of neighbors = 1655 149s Ave neighs/atom = 8.275 149s Neighbor list builds = 679 149s Dangerous builds = 0 149s Total wall time: 0:00:00 149s LAMMPS (7 Feb 2024 - Update 1) 150s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 150s using 1 OpenMP thread(s) per MPI task 150s WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (src/atom_vec_hybrid.cpp:132) 150s Lattice spacing in x,y,z = 1.6903085 1.6903085 1.6903085 150s Created orthogonal box = (0 0 -0.84515425) to (16.903085 16.903085 0.84515425) 150s 1 by 1 by 1 MPI processor grid 150s Created 200 atoms 150s using lattice units in orthogonal box = (0 0 -0.84515425) to (16.903085 16.903085 0.84515425) 150s create_atoms CPU = 0.001 seconds 150s Setting atom values ... 150s 200 settings made for mass 150s Setting atom values ... 150s 200 settings made for dipole/random 150s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 150s Neighbor list info ... 150s update: every = 1 steps, delay = 0 steps, check = yes 150s max neighbors/atom: 2000, page size: 100000 150s master list distance cutoff = 2.8 150s ghost atom cutoff = 2.8 150s binsize = 1.4, bins = 13 13 2 150s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 150s (1) pair lj/cut/dipole/cut, perpetual 150s attributes: half, newton on 150s pair build: half/bin/atomonly/newton 150s stencil: half/bin/2d 150s bin: standard 150s Setting up Verlet run ... 150s Unit style : lj 150s Current step : 0 150s Time step : 0.005 150s Per MPI rank memory allocation (min/avg/max) = 5.05 | 5.05 | 5.05 Mbytes 150s Step Temp E_pair c_erot TotEng Press 150s 0 0 -2.1909822 0 -2.1909822 -2.5750971 150s 500 0.39335419 -2.7940623 0.20683255 -2.4026749 -0.24768899 150s 1000 0.45259485 -2.8743423 0.22311811 -2.4240104 -0.14864606 150s 1500 0.42110221 -2.8019062 0.19532181 -2.3829095 0.18067141 150s 2000 0.39019964 -2.7914873 0.2240704 -2.4032387 -0.40914108 150s 2500 0.40258219 -2.8140936 0.24274448 -2.4135243 -0.33941924 150s 3000 0.41800133 -2.8282056 0.24466746 -2.4122942 -0.090527465 150s 3500 0.40116089 -2.7573067 0.18791549 -2.3581517 -0.10988473 150s 4000 0.44069383 -2.8320262 0.23306586 -2.3935358 -0.16090586 150s 4500 0.39984934 -2.7780055 0.2316558 -2.3801554 -0.060493508 150s 5000 0.38478499 -2.7506484 0.22192236 -2.3677873 -0.20522733 150s 5500 0.41563657 -2.7772758 0.21967501 -2.3637174 -0.21224098 150s 6000 0.4784307 -2.8050644 0.19178566 -2.3290259 -0.084370417 150s 6500 0.45915752 -2.8043874 0.21761744 -2.3475257 0.044744498 150s 7000 0.45492064 -2.7795535 0.20340455 -2.3269074 -0.027924625 150s 7500 0.41266295 -2.7515872 0.22903767 -2.3409876 -0.43730101 150s 8000 0.41905675 -2.7281536 0.19413869 -2.3111921 -0.020762772 150s 8500 0.42951176 -2.7616497 0.22863785 -2.3342855 -0.18867239 150s 9000 0.42532413 -2.748856 0.21378021 -2.3256584 0.015079949 150s 9500 0.42237159 -2.7266142 0.20255034 -2.3063545 -0.15538561 150s 10000 0.40758268 -2.778401 0.2746675 -2.3728562 -0.20811978 150s Loop time of 0.888676 on 1 procs for 10000 steps with 200 atoms 150s 150s Performance: 4861164.583 tau/day, 11252.696 timesteps/s, 2.251 Matom-step/s 150s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads 150s 150s MPI task timing breakdown: 150s Section | min time | avg time | max time |%varavg| %total 150s --------------------------------------------------------------- 150s Pair | 0.70172 | 0.70172 | 0.70172 | 0.0 | 78.96 150s Neigh | 0.03518 | 0.03518 | 0.03518 | 0.0 | 3.96 150s Comm | 0.057339 | 0.057339 | 0.057339 | 0.0 | 6.45 150s Output | 0.00040061 | 0.00040061 | 0.00040061 | 0.0 | 0.05 150s Modify | 0.08193 | 0.08193 | 0.08193 | 0.0 | 9.22 150s Other | | 0.01211 | | | 1.36 150s 150s Nlocal: 200 ave 200 max 200 min 150s Histogram: 1 0 0 0 0 0 0 0 0 0 150s Nghost: 162 ave 162 max 162 min 150s Histogram: 1 0 0 0 0 0 0 0 0 0 150s Neighs: 1625 ave 1625 max 1625 min 150s Histogram: 1 0 0 0 0 0 0 0 0 0 150s 150s Total # of neighbors = 1625 150s Ave neighs/atom = 8.125 150s Neighbor list builds = 673 150s Dangerous builds = 0 150s Total wall time: 0:00:00 150s run: OK 151s autopkgtest [11:57:18]: test dipole: -----------------------] 151s autopkgtest [11:57:18]: test dipole: - - - - - - - - - - results - - - - - - - - - - 151s dipole PASS 151s autopkgtest [11:57:18]: test ellipse: preparing testbed 152s Reading package lists... 152s Building dependency tree... 152s Reading state information... 152s Starting pkgProblemResolver with broken count: 0 152s Starting 2 pkgProblemResolver with broken count: 0 152s Done 153s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 154s autopkgtest [11:57:21]: test ellipse: [----------------------- 154s LAMMPS (7 Feb 2024 - Update 1) 154s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 154s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 154s using 1 OpenMP thread(s) per MPI task 154s Lattice spacing in x,y,z = 7.0710678 7.0710678 7.0710678 154s Created orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 154s 2 by 1 by 1 MPI processor grid 154s Created 400 atoms 154s using lattice units in orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 154s create_atoms CPU = 0.001 seconds 154s Setting atom values ... 154s 45 settings made for type/fraction 154s Setting atom values ... 154s 355 settings made for mass 154s Setting atom values ... 154s 45 settings made for mass 154s Setting atom values ... 154s 355 settings made for shape 154s Setting atom values ... 154s 45 settings made for shape 154s Setting atom values ... 154s 400 settings made for quat/random 154s 355 atoms in group spheroid 154s 154s CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE 154s 154s Your simulation uses code contributions which should be cited: 154s - pair gayberne command: doi:10.1063/1.3058435 154s The log file lists these citations in BibTeX format. 154s 154s CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE 154s 154s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 154s Neighbor list info ... 154s update: every = 1 steps, delay = 0 steps, check = yes 154s max neighbors/atom: 2000, page size: 100000 154s master list distance cutoff = 4.8 154s ghost atom cutoff = 4.8 154s binsize = 2.4, bins = 59 59 3 154s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 154s (1) pair gayberne, perpetual 154s attributes: half, newton on 154s pair build: half/bin/atomonly/newton 154s stencil: half/bin/2d 154s bin: standard 154s Setting up Verlet run ... 154s Unit style : lj 154s Current step : 0 154s Time step : 0.002 154s Per MPI rank memory allocation (min/avg/max) = 4.744 | 4.744 | 4.744 Mbytes 154s Step c_rot E_pair TotEng Press Volume 154s 0 2.2718861 0 2.394 0.04788 20000 154s 100 1.7443419 0 1.8381003 0.035765442 20557.278 154s 200 2.2768798 0 2.3992621 0.046544845 20618.928 154s 300 1.8573086 0 1.9571389 0.04239709 18464.842 154s 400 2.1707875 -0.00045989278 2.2870073 0.066725499 13701.839 154s 500 1.9710982 -0.014545321 2.0486111 0.12205188 8490.5214 154s 600 2.0818888 -0.21572832 1.8356955 0.22333255 4697.3035 154s 700 2.1551458 -0.68175426 1.4003368 0.60385996 2541.157 154s 800 1.8879651 -1.6357045 0.21794544 1.0826917 1444.4484 154s 900 2.1993533 -3.0664068 -0.91036919 3.2142529 925.96691 154s 1000 1.4285977 -4.3962037 -2.9651113 3.1830461 744.91324 154s 1100 1.933074 -4.9398703 -3.0147256 1.4694937 715.30906 154s 1200 2.0872875 -4.5711608 -2.4689861 1.4091154 757.68606 154s 1300 1.8950043 -4.1568789 -2.2487345 0.19138859 846.69407 154s 1400 2.1773467 -3.7905723 -1.6164698 0.55639059 930.77026 154s 1500 1.934954 -3.5505876 -1.6187812 0.2572587 1020.2803 154s 1600 2.083004 -3.2707357 -1.1794873 0.68661802 1088.5587 154s 1700 1.9434093 -3.2434441 -1.3043926 0.72465776 1136.9866 155s 1800 1.9731416 -3.2692426 -1.3364608 0.52887379 1162.1022 155s 1900 2.0618126 -3.2264372 -1.162807 0.93455597 1155.8306 155s 2000 1.894614 -3.3964158 -1.4932323 0.69021878 1125.7713 155s Loop time of 0.500106 on 2 procs for 2000 steps with 400 atoms 155s 155s Performance: 691052.971 tau/day, 3999.149 timesteps/s, 1.600 Matom-step/s 155s 97.9% CPU use with 2 MPI tasks x 1 OpenMP threads 155s 155s MPI task timing breakdown: 155s Section | min time | avg time | max time |%varavg| %total 155s --------------------------------------------------------------- 155s Pair | 0.2639 | 0.28065 | 0.2974 | 3.2 | 56.12 155s Neigh | 0.010398 | 0.011445 | 0.012492 | 1.0 | 2.29 155s Comm | 0.053883 | 0.069291 | 0.084698 | 5.9 | 13.86 155s Output | 0.016763 | 0.016948 | 0.017134 | 0.1 | 3.39 155s Modify | 0.10936 | 0.11126 | 0.11316 | 0.6 | 22.25 155s Other | | 0.01051 | | | 2.10 155s 155s Nlocal: 200 ave 204 max 196 min 155s Histogram: 1 0 0 0 0 0 0 0 0 1 155s Nghost: 198.5 ave 200 max 197 min 155s Histogram: 1 0 0 0 0 0 0 0 0 1 155s Neighs: 1510.5 ave 1546 max 1475 min 155s Histogram: 1 0 0 0 0 0 0 0 0 1 155s 155s Total # of neighbors = 3021 155s Ave neighs/atom = 7.5525 155s Neighbor list builds = 351 155s Dangerous builds = 0 155s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 155s Setting up Verlet run ... 155s Unit style : lj 155s Current step : 2000 155s Time step : 0.002 155s Per MPI rank memory allocation (min/avg/max) = 6.898 | 6.898 | 6.898 Mbytes 155s Step c_rot E_pair TotEng Press Volume 155s 2000 1.894614 -3.3964158 -1.4932323 0.69021878 1125.7713 155s 2100 1.8880098 -3.3875135 -1.4857102 0.21017294 1125.7713 155s 2200 1.9098636 -3.4103342 -1.5286928 0.58806421 1125.7713 155s 2300 1.9069019 -3.4099452 -1.610028 0.63472536 1125.7713 155s 2400 1.9773105 -3.4856993 -1.5268536 0.68904913 1125.7713 155s 2500 2.0027582 -3.5144592 -1.4900205 0.59925284 1125.7713 155s 2600 1.9616624 -3.4744356 -1.5230915 0.26873751 1125.7713 155s 2700 1.8601147 -3.3625731 -1.487211 0.68399849 1125.7713 155s 2800 1.8194349 -3.3190942 -1.5148089 0.6253534 1125.7713 155s 2900 1.8465285 -3.3451867 -1.5508324 0.60146161 1125.7713 155s 3000 1.8894697 -3.3918161 -1.5180286 0.6121204 1125.7713 155s 3100 1.8667782 -3.3664981 -1.5276073 0.54220867 1125.7713 155s 3200 1.8235755 -3.3205753 -1.5178132 0.82786428 1125.7713 155s 3300 1.7937373 -3.2889154 -1.4975068 0.57067419 1125.7713 155s 3400 1.828955 -3.3291496 -1.5067653 1.0360542 1125.7713 155s 3500 1.8536352 -3.3525756 -1.5177124 0.56578139 1125.7713 155s 3600 1.7698175 -3.2647143 -1.5345765 0.50355355 1125.7713 155s 3700 1.7690567 -3.2653073 -1.4812992 0.7916524 1125.7713 155s 3800 1.8637674 -3.3670314 -1.5049293 0.58377083 1125.7713 155s 3900 1.9053975 -3.4123772 -1.4973185 0.64862786 1125.7713 155s 4000 1.878375 -3.3835516 -1.5382418 0.73838477 1125.7713 155s Loop time of 0.471765 on 2 procs for 2000 steps with 400 atoms 155s 155s Performance: 732567.938 tau/day, 4239.398 timesteps/s, 1.696 Matom-step/s 155s 98.3% CPU use with 2 MPI tasks x 1 OpenMP threads 155s 155s MPI task timing breakdown: 155s Section | min time | avg time | max time |%varavg| %total 155s --------------------------------------------------------------- 155s Pair | 0.31041 | 0.32565 | 0.34089 | 2.7 | 69.03 155s Neigh | 0.0033 | 0.0033393 | 0.0033786 | 0.1 | 0.71 155s Comm | 0.048019 | 0.06269 | 0.07736 | 5.9 | 13.29 155s Output | 0.016172 | 0.016286 | 0.016399 | 0.1 | 3.45 155s Modify | 0.055159 | 0.056365 | 0.057571 | 0.5 | 11.95 155s Other | | 0.007437 | | | 1.58 155s 155s Nlocal: 200 ave 203 max 197 min 155s Histogram: 1 0 0 0 0 0 0 0 0 1 155s Nghost: 207.5 ave 228 max 187 min 155s Histogram: 1 0 0 0 0 0 0 0 0 1 155s Neighs: 1548.5 ave 1608 max 1489 min 155s Histogram: 1 0 0 0 0 0 0 0 0 1 155s 155s Total # of neighbors = 3097 155s Ave neighs/atom = 7.7425 155s Neighbor list builds = 45 155s Dangerous builds = 0 155s Total wall time: 0:00:00 155s LAMMPS (7 Feb 2024 - Update 1) 156s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 156s using 1 OpenMP thread(s) per MPI task 156s Lattice spacing in x,y,z = 7.0710678 7.0710678 7.0710678 156s Created orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 156s 1 by 1 by 1 MPI processor grid 156s Created 400 atoms 156s using lattice units in orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 156s create_atoms CPU = 0.001 seconds 156s Setting atom values ... 156s 45 settings made for type/fraction 156s Setting atom values ... 156s 355 settings made for mass 156s Setting atom values ... 156s 45 settings made for mass 156s Setting atom values ... 156s 355 settings made for shape 156s Setting atom values ... 156s 45 settings made for shape 156s Setting atom values ... 156s 400 settings made for quat/random 156s 355 atoms in group spheroid 156s 156s CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE 156s 156s Your simulation uses code contributions which should be cited: 156s - pair gayberne command: doi:10.1063/1.3058435 156s The log file lists these citations in BibTeX format. 156s 156s CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE 156s 156s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 156s Neighbor list info ... 156s update: every = 1 steps, delay = 0 steps, check = yes 156s max neighbors/atom: 2000, page size: 100000 156s master list distance cutoff = 4.8 156s ghost atom cutoff = 4.8 156s binsize = 2.4, bins = 59 59 3 156s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 156s (1) pair gayberne, perpetual 156s attributes: half, newton on 156s pair build: half/bin/atomonly/newton 156s stencil: half/bin/2d 156s bin: standard 156s Setting up Verlet run ... 156s Unit style : lj 156s Current step : 0 156s Time step : 0.002 156s Per MPI rank memory allocation (min/avg/max) = 4.753 | 4.753 | 4.753 Mbytes 156s Step c_rot E_pair TotEng Press Volume 156s 0 2.2718861 0 2.394 0.04788 20000 156s 100 1.7443419 0 1.8381003 0.035765442 20557.278 156s 200 2.2768798 0 2.3992621 0.046544845 20618.928 156s 300 1.8573086 0 1.9571389 0.04239709 18464.842 156s 400 2.1707875 -0.00045989278 2.2870073 0.066725499 13701.839 156s 500 1.9710982 -0.014545321 2.0486111 0.12205188 8490.5214 156s 600 2.0818888 -0.21572832 1.8356955 0.22333255 4697.3035 156s 700 2.1551458 -0.68175426 1.4003368 0.60385996 2541.157 156s 800 1.8879651 -1.6357045 0.21794544 1.0826917 1444.4484 156s 900 2.1993533 -3.0664068 -0.91036919 3.2142529 925.96691 156s 1000 1.4285977 -4.3962037 -2.9651113 3.1830461 744.91324 156s 1100 1.933074 -4.9398703 -3.0147256 1.4694937 715.30906 156s 1200 2.0872875 -4.5711608 -2.4689861 1.4091154 757.68606 156s 1300 1.8950043 -4.1568789 -2.2487345 0.19138859 846.69407 156s 1400 2.1773467 -3.7905723 -1.6164698 0.55639059 930.77026 156s 1500 1.934954 -3.5505876 -1.6187812 0.2572587 1020.2803 156s 1600 2.083004 -3.2707357 -1.1794873 0.68661802 1088.5587 156s 1700 1.9434093 -3.2434441 -1.3043926 0.72465775 1136.9866 156s 1800 1.9731416 -3.2692426 -1.3364608 0.52887379 1162.1022 156s 1900 2.0618126 -3.2264372 -1.162807 0.93455596 1155.8306 156s 2000 1.894614 -3.3964158 -1.4932323 0.69021875 1125.7713 156s Loop time of 0.848684 on 1 procs for 2000 steps with 400 atoms 156s 156s Performance: 407218.812 tau/day, 2356.590 timesteps/s, 942.636 katom-step/s 156s 99.6% CPU use with 1 MPI tasks x 1 OpenMP threads 156s 156s MPI task timing breakdown: 156s Section | min time | avg time | max time |%varavg| %total 156s --------------------------------------------------------------- 156s Pair | 0.58208 | 0.58208 | 0.58208 | 0.0 | 68.59 157s Neigh | 0.02295 | 0.02295 | 0.02295 | 0.0 | 2.70 157s Comm | 0.017809 | 0.017809 | 0.017809 | 0.0 | 2.10 157s Output | 0.021526 | 0.021526 | 0.021526 | 0.0 | 2.54 157s Modify | 0.19886 | 0.19886 | 0.19886 | 0.0 | 23.43 157s Other | | 0.005461 | | | 0.64 157s 157s Nlocal: 400 ave 400 max 400 min 157s Histogram: 1 0 0 0 0 0 0 0 0 0 157s Nghost: 247 ave 247 max 247 min 157s Histogram: 1 0 0 0 0 0 0 0 0 0 157s Neighs: 3021 ave 3021 max 3021 min 157s Histogram: 1 0 0 0 0 0 0 0 0 0 157s 157s Total # of neighbors = 3021 157s Ave neighs/atom = 7.5525 157s Neighbor list builds = 351 157s Dangerous builds = 0 157s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 157s Setting up Verlet run ... 157s Unit style : lj 157s Current step : 2000 157s Time step : 0.002 157s Per MPI rank memory allocation (min/avg/max) = 6.939 | 6.939 | 6.939 Mbytes 157s Step c_rot E_pair TotEng Press Volume 157s 2000 1.894614 -3.3964158 -1.4932323 0.69021875 1125.7713 157s 2100 1.8880098 -3.3875135 -1.4857102 0.21017294 1125.7713 157s 2200 1.9098635 -3.4103342 -1.5286928 0.58806422 1125.7713 157s 2300 1.9069019 -3.4099452 -1.610028 0.63472566 1125.7713 157s 2400 1.9773106 -3.4856993 -1.5268537 0.6890488 1125.7713 157s 2500 2.0027577 -3.5144587 -1.4900206 0.59925482 1125.7713 157s 2600 1.9616627 -3.4744359 -1.5230914 0.26873643 1125.7713 157s 2700 1.8601143 -3.3625727 -1.4872111 0.68399923 1125.7713 157s 2800 1.8194315 -3.3190907 -1.5148099 0.62535541 1125.7713 157s 2900 1.8465014 -3.3451581 -1.5508257 0.60156027 1125.7713 157s 3000 1.8894895 -3.391836 -1.5180354 0.61205823 1125.7713 157s 3100 1.8668465 -3.3665673 -1.5276094 0.54215927 1125.7713 157s 3200 1.8233438 -3.3203287 -1.5178269 0.82854887 1125.7713 157s 3300 1.794649 -3.2898698 -1.4973919 0.56704285 1125.7713 157s 3400 1.8290008 -3.3295346 -1.5070098 1.0356016 1125.7713 157s 3500 1.8535551 -3.3522046 -1.5121703 0.5801663 1125.7713 157s 3600 1.7849961 -3.2815422 -1.5326244 0.45764466 1125.7713 157s 3700 1.7695363 -3.2652329 -1.4772023 0.84882871 1125.7713 157s 3800 1.8713051 -3.3743092 -1.5234548 0.38004095 1125.7713 157s 3900 1.9336013 -3.4411866 -1.4980326 0.64679675 1125.7713 157s 4000 1.9271117 -3.4346745 -1.5345035 0.4492419 1125.7713 157s Loop time of 0.981895 on 1 procs for 2000 steps with 400 atoms 157s 157s Performance: 351972.590 tau/day, 2036.878 timesteps/s, 814.751 katom-step/s 157s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads 157s 157s MPI task timing breakdown: 157s Section | min time | avg time | max time |%varavg| %total 157s --------------------------------------------------------------- 157s Pair | 0.80167 | 0.80167 | 0.80167 | 0.0 | 81.65 157s Neigh | 0.0071696 | 0.0071696 | 0.0071696 | 0.0 | 0.73 157s Comm | 0.019992 | 0.019992 | 0.019992 | 0.0 | 2.04 157s Output | 0.026017 | 0.026017 | 0.026017 | 0.0 | 2.65 157s Modify | 0.12151 | 0.12151 | 0.12151 | 0.0 | 12.37 157s Other | | 0.005536 | | | 0.56 157s 157s Nlocal: 400 ave 400 max 400 min 157s Histogram: 1 0 0 0 0 0 0 0 0 0 157s Nghost: 242 ave 242 max 242 min 157s Histogram: 1 0 0 0 0 0 0 0 0 0 157s Neighs: 3080 ave 3080 max 3080 min 157s Histogram: 1 0 0 0 0 0 0 0 0 0 157s 157s Total # of neighbors = 3080 157s Ave neighs/atom = 7.7 157s Neighbor list builds = 45 157s Dangerous builds = 0 157s Total wall time: 0:00:01 158s LAMMPS (7 Feb 2024 - Update 1) 158s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 158s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 158s using 1 OpenMP thread(s) per MPI task 158s Lattice spacing in x,y,z = 7.0710678 7.0710678 7.0710678 158s Created orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 158s 2 by 1 by 1 MPI processor grid 158s Created 400 atoms 158s using lattice units in orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 158s create_atoms CPU = 0.001 seconds 158s Setting atom values ... 158s 45 settings made for type/fraction 158s Setting atom values ... 158s 355 settings made for mass 158s Setting atom values ... 158s 45 settings made for mass 158s Setting atom values ... 158s 355 settings made for shape 158s Setting atom values ... 158s 45 settings made for shape 158s Setting atom values ... 158s 400 settings made for quat/random 158s 355 atoms in group spheroid 158s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 158s Neighbor list info ... 158s update: every = 1 steps, delay = 0 steps, check = yes 158s max neighbors/atom: 2000, page size: 100000 158s master list distance cutoff = 4.8 158s ghost atom cutoff = 4.8 158s binsize = 2.4, bins = 59 59 3 158s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 158s (1) pair resquared, perpetual 158s attributes: half, newton on 158s pair build: half/bin/atomonly/newton 158s stencil: half/bin/2d 158s bin: standard 158s Setting up Verlet run ... 158s Unit style : lj 158s Current step : 0 158s Time step : 0.002 158s Per MPI rank memory allocation (min/avg/max) = 4.744 | 4.744 | 4.744 Mbytes 158s Step c_rot E_pair TotEng Press Volume 158s 0 2.2718861 0 2.394 0.04788 20000 158s 100 1.7443419 0 1.8381003 0.035765442 20557.278 158s 200 2.2768798 0 2.3992621 0.046544845 20618.928 158s 300 1.8573086 0 1.9571389 0.04239709 18464.842 158s 400 2.1706741 -2.5275641e-05 2.2873225 0.066771565 13701.864 158s 500 2.012561 0.0079467721 2.063898 0.10816504 8501.4958 158s 600 2.1428003 0.083982458 2.2020759 0.3340759 4786.6892 158s 700 2.0449292 0.17309565 2.1718849 0.78086274 2774.9262 158s 800 1.9528849 0.31804014 2.2520272 1.8059473 1826.0933 158s 900 1.6296095 0.24347613 1.8589813 1.7120274 1518.1139 158s 1000 1.9349826 0.13913538 2.1125467 1.3044646 1519.7133 158s 1100 2.1040629 0.11218748 2.2384236 1.0097965 1751.5229 158s 1200 1.7801858 0.051922127 1.8564589 0.54836207 2198.0187 158s 1300 2.3147158 0.049339841 2.390002 0.48871848 2754.4057 158s 1400 1.754921 0.025804182 1.785499 0.28804529 3305.8359 158s 1500 2.3701432 0.070771258 2.4523449 0.42290556 3531.1976 158s 1600 1.7628065 0.054682596 1.830609 0.36138713 3319.2576 158s 1700 2.2969598 0.130209 2.454872 0.73541699 2721.9102 158s 1800 1.8253139 0.23039663 2.0810243 1.2065009 2155.7953 158s 1900 2.017999 0.16257657 2.1664889 1.1654021 1815.9914 158s 2000 1.973946 0.17086654 2.1754835 1.2957284 1669.0751 158s Loop time of 0.700536 on 2 procs for 2000 steps with 400 atoms 158s 158s Performance: 493336.378 tau/day, 2854.956 timesteps/s, 1.142 Matom-step/s 158s 98.6% CPU use with 2 MPI tasks x 1 OpenMP threads 158s 158s MPI task timing breakdown: 158s Section | min time | avg time | max time |%varavg| %total 158s --------------------------------------------------------------- 158s Pair | 0.47898 | 0.48473 | 0.49049 | 0.8 | 69.19 158s Neigh | 0.01124 | 0.011603 | 0.011966 | 0.3 | 1.66 158s Comm | 0.059497 | 0.064621 | 0.069746 | 2.0 | 9.22 158s Output | 0.016607 | 0.016804 | 0.017002 | 0.2 | 2.40 158s Modify | 0.11086 | 0.11149 | 0.11213 | 0.2 | 15.92 158s Other | | 0.01128 | | | 1.61 158s 158s Nlocal: 200 ave 206 max 194 min 158s Histogram: 1 0 0 0 0 0 0 0 0 1 158s Nghost: 168.5 ave 169 max 168 min 158s Histogram: 1 0 0 0 0 0 0 0 0 1 158s Neighs: 941 ave 998 max 884 min 158s Histogram: 1 0 0 0 0 0 0 0 0 1 158s 158s Total # of neighbors = 1882 158s Ave neighs/atom = 4.705 158s Neighbor list builds = 415 158s Dangerous builds = 0 158s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 158s Setting up Verlet run ... 158s Unit style : lj 158s Current step : 2000 158s Time step : 0.002 158s Per MPI rank memory allocation (min/avg/max) = 6.889 | 6.889 | 6.889 Mbytes 158s Step c_rot E_pair TotEng Press Volume 158s 2000 1.973946 0.17086654 2.1754835 1.2957284 1669.0751 158s 2100 2.0234333 0.11888043 2.165674 1.056689 1669.0751 158s 2200 1.9652317 0.18018588 2.1288332 1.3191509 1669.0751 158s 2300 1.9982484 0.1453846 2.1438911 1.2670661 1669.0751 159s 2400 1.9752559 0.16967804 2.1177286 1.303768 1669.0751 159s 2500 1.978203 0.16642164 2.1631435 1.2908362 1669.0751 159s 2600 1.9587508 0.18695271 2.1506896 1.3513902 1669.0751 159s 2700 1.9654455 0.17997217 2.1247901 1.3360491 1669.0751 159s 2800 1.9870267 0.15716585 2.1207709 1.2045104 1669.0751 159s 2900 1.9230662 0.224487 2.1353571 1.4964288 1669.0751 159s 3000 2.0042113 0.13903203 2.1149787 1.2100649 1669.0751 159s 3100 1.9543695 0.19149462 2.0984705 1.3409712 1669.0751 159s 3200 1.9991114 0.14441986 2.1292354 1.1756472 1669.0751 159s 3300 1.9629782 0.18246612 2.1463675 1.3162684 1669.0751 159s 3400 1.9403529 0.20630278 2.168704 1.4952817 1669.0751 159s 3500 1.9887414 0.15531284 2.1485278 1.2530438 1669.0751 159s 3600 1.9732705 0.17171749 2.1755758 1.2958612 1669.0751 159s 3700 2.0072859 0.13576438 2.1212392 1.1421261 1669.0751 159s 3800 1.9581319 0.18762046 2.1743395 1.371088 1669.0751 159s 3900 1.9761472 0.16864775 2.1429629 1.3037468 1669.0751 159s 4000 1.9615776 0.18391221 2.1244703 1.4180052 1669.0751 159s Loop time of 1.15472 on 2 procs for 2000 steps with 400 atoms 159s 159s Performance: 299293.117 tau/day, 1732.020 timesteps/s, 692.808 katom-step/s 159s 99.4% CPU use with 2 MPI tasks x 1 OpenMP threads 159s 159s MPI task timing breakdown: 159s Section | min time | avg time | max time |%varavg| %total 159s --------------------------------------------------------------- 159s Pair | 0.85108 | 0.93158 | 1.0121 | 8.3 | 80.68 159s Neigh | 0.0028003 | 0.0029303 | 0.0030602 | 0.2 | 0.25 159s Comm | 0.053541 | 0.13416 | 0.21477 | 22.0 | 11.62 159s Output | 0.018416 | 0.01861 | 0.018805 | 0.1 | 1.61 159s Modify | 0.055536 | 0.057828 | 0.06012 | 1.0 | 5.01 159s Other | | 0.009613 | | | 0.83 159s 159s Nlocal: 200 ave 204 max 196 min 159s Histogram: 1 0 0 0 0 0 0 0 0 1 159s Nghost: 159.5 ave 161 max 158 min 159s Histogram: 1 0 0 0 0 0 0 0 0 1 159s Neighs: 936 ave 1007 max 865 min 159s Histogram: 1 0 0 0 0 0 0 0 0 1 159s 159s Total # of neighbors = 1872 159s Ave neighs/atom = 4.68 159s Neighbor list builds = 50 159s Dangerous builds = 0 159s Total wall time: 0:00:01 160s LAMMPS (7 Feb 2024 - Update 1) 161s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 161s using 1 OpenMP thread(s) per MPI task 161s Lattice spacing in x,y,z = 7.0710678 7.0710678 7.0710678 161s Created orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 161s 1 by 1 by 1 MPI processor grid 161s Created 400 atoms 161s using lattice units in orthogonal box = (0 0 -3.5355339) to (141.42136 141.42136 3.5355339) 161s create_atoms CPU = 0.001 seconds 161s Setting atom values ... 161s 45 settings made for type/fraction 161s Setting atom values ... 161s 355 settings made for mass 161s Setting atom values ... 161s 45 settings made for mass 161s Setting atom values ... 161s 355 settings made for shape 161s Setting atom values ... 161s 45 settings made for shape 161s Setting atom values ... 161s 400 settings made for quat/random 161s 355 atoms in group spheroid 161s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 161s Neighbor list info ... 161s update: every = 1 steps, delay = 0 steps, check = yes 161s max neighbors/atom: 2000, page size: 100000 161s master list distance cutoff = 4.8 161s ghost atom cutoff = 4.8 161s binsize = 2.4, bins = 59 59 3 161s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 161s (1) pair resquared, perpetual 161s attributes: half, newton on 161s pair build: half/bin/atomonly/newton 161s stencil: half/bin/2d 161s bin: standard 161s Setting up Verlet run ... 161s Unit style : lj 161s Current step : 0 161s Time step : 0.002 161s Per MPI rank memory allocation (min/avg/max) = 4.753 | 4.753 | 4.753 Mbytes 161s Step c_rot E_pair TotEng Press Volume 161s 0 2.2718861 0 2.394 0.04788 20000 161s 100 1.7443419 0 1.8381003 0.035765442 20557.278 161s 200 2.2768798 0 2.3992621 0.046544845 20618.928 161s 300 1.8573086 0 1.9571389 0.04239709 18464.842 161s 400 2.1706741 -2.5275641e-05 2.2873225 0.066771565 13701.864 161s 500 2.012561 0.0079467721 2.063898 0.10816504 8501.4958 161s 600 2.1428003 0.083982458 2.2020759 0.3340759 4786.6892 161s 700 2.0449292 0.17309565 2.1718849 0.78086274 2774.9262 161s 800 1.9528849 0.31804014 2.2520272 1.8059473 1826.0933 161s 900 1.6296095 0.24347613 1.8589813 1.7120274 1518.1139 161s 1000 1.9349826 0.13913538 2.1125467 1.3044646 1519.7133 161s 1100 2.1040629 0.11218748 2.2384236 1.0097965 1751.5229 161s 1200 1.7801858 0.051922127 1.8564589 0.54836207 2198.0187 161s 1300 2.3147158 0.049339841 2.390002 0.48871848 2754.4057 161s 1400 1.754921 0.025804182 1.785499 0.28804529 3305.8359 161s 1500 2.3701432 0.070771258 2.4523449 0.42290556 3531.1976 161s 1600 1.7628065 0.054682596 1.830609 0.36138713 3319.2576 161s 1700 2.2969598 0.130209 2.454872 0.73541699 2721.9102 161s 1800 1.8253139 0.23039663 2.0810243 1.2065009 2155.7953 161s 1900 2.017999 0.16257657 2.1664889 1.1654021 1815.9914 161s 2000 1.973946 0.17086654 2.1754835 1.2957284 1669.0751 161s Loop time of 1.22195 on 1 procs for 2000 steps with 400 atoms 161s 161s Performance: 282827.645 tau/day, 1636.734 timesteps/s, 654.694 katom-step/s 161s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads 161s 161s MPI task timing breakdown: 161s Section | min time | avg time | max time |%varavg| %total 161s --------------------------------------------------------------- 161s Pair | 0.9758 | 0.9758 | 0.9758 | 0.0 | 79.86 161s Neigh | 0.022982 | 0.022982 | 0.022982 | 0.0 | 1.88 161s Comm | 0.013145 | 0.013145 | 0.013145 | 0.0 | 1.08 161s Output | 0.018442 | 0.018442 | 0.018442 | 0.0 | 1.51 161s Modify | 0.18656 | 0.18656 | 0.18656 | 0.0 | 15.27 163s Other | | 0.005024 | | | 0.41 163s 163s Nlocal: 400 ave 400 max 400 min 163s Histogram: 1 0 0 0 0 0 0 0 0 0 163s Nghost: 212 ave 212 max 212 min 163s Histogram: 1 0 0 0 0 0 0 0 0 0 163s Neighs: 1882 ave 1882 max 1882 min 163s Histogram: 1 0 0 0 0 0 0 0 0 0 163s 163s Total # of neighbors = 1882 163s Ave neighs/atom = 4.705 163s Neighbor list builds = 415 163s Dangerous builds = 0 163s Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule 163s Setting up Verlet run ... 163s Unit style : lj 163s Current step : 2000 163s Time step : 0.002 163s Per MPI rank memory allocation (min/avg/max) = 6.917 | 6.917 | 6.917 Mbytes 163s Step c_rot E_pair TotEng Press Volume 163s 2000 1.973946 0.17086654 2.1754835 1.2957284 1669.0751 163s 2100 2.0234333 0.11888043 2.165674 1.056689 1669.0751 163s 2200 1.9652317 0.18018588 2.1288332 1.3191509 1669.0751 163s 2300 1.9982484 0.1453846 2.1438911 1.2670661 1669.0751 163s 2400 1.9752559 0.16967804 2.1177286 1.303768 1669.0751 163s 2500 1.978203 0.16642164 2.1631435 1.2908362 1669.0751 163s 2600 1.9587508 0.18695272 2.1506896 1.3513902 1669.0751 163s 2700 1.9654455 0.17997217 2.1247901 1.3360491 1669.0751 163s 2800 1.9870267 0.15716584 2.1207709 1.2045103 1669.0751 163s 2900 1.9230661 0.22448715 2.1353571 1.4964295 1669.0751 163s 3000 2.0042113 0.13903205 2.1149788 1.2100651 1669.0751 163s 3100 1.9543696 0.19149451 2.0984704 1.3409708 1669.0751 163s 3200 1.9991114 0.14441986 2.1292353 1.1756471 1669.0751 163s 3300 1.9629782 0.18246604 2.1463674 1.3162682 1669.0751 163s 3400 1.9403526 0.2063031 2.1687041 1.4952828 1669.0751 163s 3500 1.9887417 0.15531257 2.1485281 1.2530419 1669.0751 163s 3600 1.9732713 0.17171668 2.1755748 1.2958589 1669.0751 163s 3700 2.0072841 0.13576627 2.1212376 1.1421332 1669.0751 163s 3800 1.9581293 0.18762314 2.1743434 1.3710999 1669.0751 163s 3900 1.9761567 0.16863762 2.1429558 1.303685 1669.0751 163s 4000 1.9615813 0.18390829 2.1244694 1.4179775 1669.0751 163s Loop time of 1.93573 on 1 procs for 2000 steps with 400 atoms 163s 163s Performance: 178537.214 tau/day, 1033.201 timesteps/s, 413.281 katom-step/s 163s 99.9% CPU use with 1 MPI tasks x 1 OpenMP threads 163s 163s MPI task timing breakdown: 163s Section | min time | avg time | max time |%varavg| %total 163s --------------------------------------------------------------- 163s Pair | 1.7769 | 1.7769 | 1.7769 | 0.0 | 91.80 163s Neigh | 0.0052868 | 0.0052868 | 0.0052868 | 0.0 | 0.27 163s Comm | 0.016075 | 0.016075 | 0.016075 | 0.0 | 0.83 163s Output | 0.019 | 0.019 | 0.019 | 0.0 | 0.98 163s Modify | 0.11381 | 0.11381 | 0.11381 | 0.0 | 5.88 163s Other | | 0.004631 | | | 0.24 163s 163s Nlocal: 400 ave 400 max 400 min 163s Histogram: 1 0 0 0 0 0 0 0 0 0 163s Nghost: 206 ave 206 max 206 min 163s Histogram: 1 0 0 0 0 0 0 0 0 0 163s Neighs: 1872 ave 1872 max 1872 min 163s Histogram: 1 0 0 0 0 0 0 0 0 0 163s 163s Total # of neighbors = 1872 163s Ave neighs/atom = 4.68 163s Neighbor list builds = 50 163s Dangerous builds = 0 163s Total wall time: 0:00:03 163s run: OK 163s autopkgtest [11:57:30]: test ellipse: -----------------------] 164s ellipse PASS 164s autopkgtest [11:57:31]: test ellipse: - - - - - - - - - - results - - - - - - - - - - 164s autopkgtest [11:57:31]: test flow: preparing testbed 165s Reading package lists... 165s Building dependency tree... 165s Reading state information... 165s Starting pkgProblemResolver with broken count: 0 165s Starting 2 pkgProblemResolver with broken count: 0 165s Done 166s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 167s autopkgtest [11:57:34]: test flow: [----------------------- 167s LAMMPS (7 Feb 2024 - Update 1) 167s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 167s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 167s using 1 OpenMP thread(s) per MPI task 167s Lattice spacing in x,y,z = 1.2843567 2.2245711 1.2843567 167s Created orthogonal box = (0 0 -0.32108918) to (25.687135 22.245711 0.32108918) 167s 2 by 1 by 1 MPI processor grid 167s Created 420 atoms 167s using lattice units in orthogonal box = (0 -0.0022245711 -0.32108918) to (25.687135 22.247936 0.32108918) 167s create_atoms CPU = 0.000 seconds 167s 60 atoms in group lower 167s 60 atoms in group upper 167s 120 atoms in group boundary 167s 300 atoms in group flow 167s Setting atom values ... 167s 60 settings made for type 167s Setting atom values ... 167s 60 settings made for type 167s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 167s Generated 0 of 3 mixed pair_coeff terms from geometric mixing rule 167s Neighbor list info ... 167s update: every = 1 steps, delay = 5 steps, check = yes 167s max neighbors/atom: 2000, page size: 100000 167s master list distance cutoff = 1.42246 167s ghost atom cutoff = 1.42246 167s binsize = 0.71123, bins = 37 32 1 167s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 167s (1) pair lj/cut, perpetual 167s attributes: half, newton on 167s pair build: half/bin/atomonly/newton 167s stencil: half/bin/2d 167s bin: standard 167s Setting up Verlet run ... 167s Unit style : lj 167s Current step : 0 167s Time step : 0.003 167s Per MPI rank memory allocation (min/avg/max) = 3.044 | 3.044 | 3.044 Mbytes 167s Step Temp E_pair E_mol TotEng Press Volume 167s 0 1 0 0 0.71190476 0.52314537 571.54286 167s 500 1.0951876 -0.33403931 0 0.44562996 3.2502319 571.54286 167s 1000 1 -0.3731019 0 0.33880286 2.8561715 571.54286 167s 1500 1.0366879 -0.36031105 0 0.37771198 3.0196355 571.54286 167s 2000 1 -0.41053 0 0.30137476 2.8651912 571.54286 167s 2500 1.1226657 -0.37033202 0 0.42889907 2.9449242 571.54286 167s 3000 1 -0.37829439 0 0.33361038 2.724957 571.54286 167s 3500 1.0214075 -0.4474262 0 0.27971864 2.4340575 571.54286 167s 4000 1 -0.42466402 0 0.28724075 2.6468652 571.54286 167s 4500 1.0385223 -0.4060451 0 0.33328387 2.8049948 571.54286 167s 5000 1 -0.44140506 0 0.2704997 2.5732992 571.54286 167s 5500 1.0412543 -0.42975001 0 0.31152391 2.5569509 571.54286 167s 6000 1 -0.40966109 0 0.30224367 2.3906115 571.54286 167s 6500 1.0821406 -0.37547129 0 0.39490976 2.5922081 571.54286 167s 7000 1 -0.41060008 0 0.30130468 2.8506205 571.54286 167s 7500 1.0819999 -0.43038503 0 0.33989586 2.6996672 571.54286 167s 8000 1 -0.3796336 0 0.33227116 2.5245689 571.54286 167s 8500 0.94746225 -0.40425285 0 0.27025004 2.5790953 571.54286 167s 9000 1 -0.4061947 0 0.30571006 2.3866707 571.54286 167s 9500 1.0336946 -0.4404991 0 0.29539298 2.2934496 571.54286 167s 10000 1 -0.44465733 0 0.26724744 2.2764313 571.54286 167s Loop time of 0.194838 on 2 procs for 10000 steps with 420 atoms 167s 167s Performance: 13303361.114 tau/day, 51324.696 timesteps/s, 21.556 Matom-step/s 167s 98.7% CPU use with 2 MPI tasks x 1 OpenMP threads 167s 167s MPI task timing breakdown: 167s Section | min time | avg time | max time |%varavg| %total 167s --------------------------------------------------------------- 167s Pair | 0.033592 | 0.034958 | 0.036323 | 0.7 | 17.94 167s Neigh | 0.020392 | 0.020646 | 0.0209 | 0.2 | 10.60 167s Comm | 0.074294 | 0.077074 | 0.079854 | 1.0 | 39.56 167s Output | 0.00035071 | 0.00070748 | 0.0010642 | 0.0 | 0.36 167s Modify | 0.043782 | 0.044283 | 0.044785 | 0.2 | 22.73 167s Other | | 0.01717 | | | 8.81 167s 167s Nlocal: 210 ave 213 max 207 min 167s Histogram: 1 0 0 0 0 0 0 0 0 1 167s Nghost: 50.5 ave 51 max 50 min 167s Histogram: 1 0 0 0 0 0 0 0 0 1 167s Neighs: 480.5 ave 492 max 469 min 167s Histogram: 1 0 0 0 0 0 0 0 0 1 167s 167s Total # of neighbors = 961 167s Ave neighs/atom = 2.2880952 167s Neighbor list builds = 964 167s Dangerous builds = 0 167s Total wall time: 0:00:00 168s LAMMPS (7 Feb 2024 - Update 1) 168s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 168s using 1 OpenMP thread(s) per MPI task 168s Lattice spacing in x,y,z = 1.2843567 2.2245711 1.2843567 168s Created orthogonal box = (0 0 -0.32108918) to (25.687135 22.245711 0.32108918) 168s 1 by 1 by 1 MPI processor grid 168s Created 420 atoms 168s using lattice units in orthogonal box = (0 -0.0022245711 -0.32108918) to (25.687135 22.247936 0.32108918) 168s create_atoms CPU = 0.001 seconds 168s 60 atoms in group lower 168s 60 atoms in group upper 168s 120 atoms in group boundary 168s 300 atoms in group flow 168s Setting atom values ... 168s 60 settings made for type 168s Setting atom values ... 168s 60 settings made for type 168s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 168s Generated 0 of 3 mixed pair_coeff terms from geometric mixing rule 168s Neighbor list info ... 168s update: every = 1 steps, delay = 5 steps, check = yes 168s max neighbors/atom: 2000, page size: 100000 168s master list distance cutoff = 1.42246 168s ghost atom cutoff = 1.42246 168s binsize = 0.71123, bins = 37 32 1 168s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 168s (1) pair lj/cut, perpetual 168s attributes: half, newton on 168s pair build: half/bin/atomonly/newton 168s stencil: half/bin/2d 168s bin: standard 168s Setting up Verlet run ... 168s Unit style : lj 168s Current step : 0 168s Time step : 0.003 168s Per MPI rank memory allocation (min/avg/max) = 3.048 | 3.048 | 3.048 Mbytes 168s Step Temp E_pair E_mol TotEng Press Volume 168s 0 1 0 0 0.71190476 0.52314537 571.54286 168s 500 1.0644427 -0.31382888 0 0.44395296 3.0013076 571.54286 168s 1000 1 -0.42965445 0 0.28225032 2.9612165 571.54286 168s 1500 1.0739874 -0.41189772 0 0.35267901 2.5621951 571.54286 168s 2000 1 -0.40814263 0 0.30376214 2.9229587 571.54286 168s 2500 1.1929729 -0.38735055 0 0.46193257 2.8337691 571.54286 168s 3000 1 -0.44542386 0 0.2664809 2.7214531 571.54286 168s 3500 1.1553179 -0.42687142 0 0.39560493 2.5109633 571.54286 168s 4000 1 -0.40604742 0 0.30585734 2.7055928 571.54286 168s 4500 1.1498154 -0.44055268 0 0.37800642 2.5561154 571.54286 168s 5000 1 -0.41742254 0 0.29448222 2.4788457 571.54286 168s 5500 1.014604 -0.42503236 0 0.29726906 2.579664 571.54286 168s 6000 1 -0.41264837 0 0.29925639 2.5861705 571.54286 168s 6500 1.1443238 -0.4392768 0 0.37537274 2.2801246 571.54286 168s 7000 1 -0.38852754 0 0.32337722 2.3294037 571.54286 168s 7500 1.0568142 -0.42350098 0 0.32885011 2.3953589 571.54286 168s 8000 1 -0.39343 0 0.31847477 2.5701342 571.54286 168s 8500 1.0872157 -0.46282796 0 0.3111661 2.2892446 571.54286 168s 9000 1 -0.402333 0 0.30957177 2.4852035 571.54286 168s 9500 0.99889786 -0.46870263 0 0.24241751 2.3763314 571.54286 168s 10000 1 -0.43338695 0 0.27851782 2.405424 571.54286 168s Loop time of 0.226572 on 1 procs for 10000 steps with 420 atoms 168s 168s Performance: 11440065.365 tau/day, 44136.055 timesteps/s, 18.537 Matom-step/s 168s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads 168s 168s MPI task timing breakdown: 168s Section | min time | avg time | max time |%varavg| %total 168s --------------------------------------------------------------- 168s Pair | 0.071959 | 0.071959 | 0.071959 | 0.0 | 31.76 168s Neigh | 0.042021 | 0.042021 | 0.042021 | 0.0 | 18.55 168s Comm | 0.0092484 | 0.0092484 | 0.0092484 | 0.0 | 4.08 168s Output | 0.00042597 | 0.00042597 | 0.00042597 | 0.0 | 0.19 168s Modify | 0.089019 | 0.089019 | 0.089019 | 0.0 | 39.29 168s Other | | 0.0139 | | | 6.13 168s 168s Nlocal: 420 ave 420 max 420 min 168s Histogram: 1 0 0 0 0 0 0 0 0 0 168s Nghost: 46 ave 46 max 46 min 168s Histogram: 1 0 0 0 0 0 0 0 0 0 168s Neighs: 952 ave 952 max 952 min 168s Histogram: 1 0 0 0 0 0 0 0 0 0 168s 168s Total # of neighbors = 952 168s Ave neighs/atom = 2.2666667 168s Neighbor list builds = 996 168s Dangerous builds = 0 168s Total wall time: 0:00:00 168s LAMMPS (7 Feb 2024 - Update 1) 168s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 168s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 168s using 1 OpenMP thread(s) per MPI task 168s Lattice spacing in x,y,z = 1.2843567 2.2245711 1.2843567 168s Created orthogonal box = (0 0 -0.32108918) to (25.687135 22.245711 0.32108918) 168s 2 by 1 by 1 MPI processor grid 168s Created 420 atoms 168s using lattice units in orthogonal box = (0 -0.0022245711 -0.32108918) to (25.687135 22.247936 0.32108918) 168s create_atoms CPU = 0.000 seconds 168s 60 atoms in group lower 168s 60 atoms in group upper 168s 120 atoms in group boundary 168s 300 atoms in group flow 168s Setting atom values ... 168s 60 settings made for type 168s Setting atom values ... 168s 60 settings made for type 168s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 168s Generated 0 of 3 mixed pair_coeff terms from geometric mixing rule 168s Neighbor list info ... 168s update: every = 1 steps, delay = 5 steps, check = yes 168s max neighbors/atom: 2000, page size: 100000 168s master list distance cutoff = 1.42246 168s ghost atom cutoff = 1.42246 168s binsize = 0.71123, bins = 37 32 1 168s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 168s (1) pair lj/cut, perpetual 168s attributes: half, newton on 168s pair build: half/bin/atomonly/newton 168s stencil: half/bin/2d 168s bin: standard 168s Setting up Verlet run ... 168s Unit style : lj 168s Current step : 0 168s Time step : 0.003 168s Per MPI rank memory allocation (min/avg/max) = 3.044 | 3.044 | 3.044 Mbytes 168s Step Temp E_pair E_mol TotEng Press Volume 168s 0 1 0 0 0.71190476 0.52314537 571.54286 168s 500 1.0758737 -0.36090417 0 0.40501541 2.7822308 575.0659 168s 1000 1 -0.35701441 0 0.35489035 2.0575313 585.71407 168s 1500 1.2368663 -0.37709732 0 0.50343367 1.4865879 587.193 168s 2000 1 -0.39362939 0 0.31827537 1.4236 578.9418 168s 2500 1.2272957 -0.423819 0 0.44989866 1.454461 570.15856 168s 3000 1 -0.49143429 0 0.22047048 1.5345942 554.98632 168s 3500 1.2445009 -0.59762587 0 0.28834022 1.8753189 537.01593 168s 4000 1 -0.69889809 0 0.013006674 2.1402865 521.46673 168s 4500 1.2185161 -0.73848066 0 0.12898676 2.7425317 507.73058 168s 5000 1 -0.79158059 0 -0.079675829 3.1146693 502.02129 168s 5500 1.23812 -0.76063102 0 0.12079254 2.6101517 503.98532 168s 6000 1 -0.68093927 0 0.030965489 2.4050071 506.73975 168s 6500 1.2305347 -0.71537739 0 0.16064612 2.0966847 510.57681 168s 7000 1 -0.69996568 0 0.011939084 2.0829242 513.97036 168s 7500 1.2387996 -0.67617771 0 0.20572962 1.9857051 511.54835 168s 8000 1 -0.72135901 0 -0.0094542445 2.3327964 508.8105 169s 8500 1.2500467 -0.77802894 0 0.11188529 2.2915813 505.72027 169s 9000 1 -0.77033319 0 -0.058428426 2.4993315 503.47206 169s 9500 1.2000703 -0.74305547 0 0.11128027 2.3321564 504.5062 169s 10000 1 -0.72090813 0 -0.0090033642 2.3379679 505.23554 169s Loop time of 0.229593 on 2 procs for 10000 steps with 420 atoms 169s 169s Performance: 11289561.682 tau/day, 43555.408 timesteps/s, 18.293 Matom-step/s 169s 98.3% CPU use with 2 MPI tasks x 1 OpenMP threads 169s 169s MPI task timing breakdown: 169s Section | min time | avg time | max time |%varavg| %total 169s --------------------------------------------------------------- 169s Pair | 0.035124 | 0.042526 | 0.049927 | 3.6 | 18.52 169s Neigh | 0.012493 | 0.013968 | 0.015442 | 1.2 | 6.08 169s Comm | 0.050078 | 0.062166 | 0.074254 | 4.8 | 27.08 169s Output | 0.00037464 | 0.00079298 | 0.0012113 | 0.0 | 0.35 169s Modify | 0.079104 | 0.085279 | 0.091453 | 2.1 | 37.14 169s Other | | 0.02486 | | | 10.83 169s 169s Nlocal: 210 ave 213 max 207 min 169s Histogram: 1 0 0 0 0 0 0 0 0 1 169s Nghost: 50 ave 51 max 49 min 169s Histogram: 1 0 0 0 0 0 0 0 0 1 169s Neighs: 558.5 ave 573 max 544 min 169s Histogram: 1 0 0 0 0 0 0 0 0 1 169s 169s Total # of neighbors = 1117 169s Ave neighs/atom = 2.6595238 169s Neighbor list builds = 562 169s Dangerous builds = 0 169s Total wall time: 0:00:00 169s LAMMPS (7 Feb 2024 - Update 1) 169s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 169s using 1 OpenMP thread(s) per MPI task 169s Lattice spacing in x,y,z = 1.2843567 2.2245711 1.2843567 169s Created orthogonal box = (0 0 -0.32108918) to (25.687135 22.245711 0.32108918) 169s 1 by 1 by 1 MPI processor grid 169s Created 420 atoms 169s using lattice units in orthogonal box = (0 -0.0022245711 -0.32108918) to (25.687135 22.247936 0.32108918) 169s create_atoms CPU = 0.000 seconds 169s 60 atoms in group lower 169s 60 atoms in group upper 169s 120 atoms in group boundary 169s 300 atoms in group flow 169s Setting atom values ... 169s 60 settings made for type 169s Setting atom values ... 169s 60 settings made for type 169s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 169s Generated 0 of 3 mixed pair_coeff terms from geometric mixing rule 169s Neighbor list info ... 169s update: every = 1 steps, delay = 5 steps, check = yes 169s max neighbors/atom: 2000, page size: 100000 169s master list distance cutoff = 1.42246 169s ghost atom cutoff = 1.42246 169s binsize = 0.71123, bins = 37 32 1 169s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 169s (1) pair lj/cut, perpetual 169s attributes: half, newton on 169s pair build: half/bin/atomonly/newton 169s stencil: half/bin/2d 169s bin: standard 169s Setting up Verlet run ... 169s Unit style : lj 169s Current step : 0 169s Time step : 0.003 169s Per MPI rank memory allocation (min/avg/max) = 3.048 | 3.048 | 3.048 Mbytes 169s Step Temp E_pair E_mol TotEng Press Volume 169s 0 1 0 0 0.71190476 0.52314537 571.54286 169s 500 1.0990751 -0.36396768 0 0.41846911 2.522517 575.55806 169s 1000 1 -0.34609791 0 0.36580685 1.9736175 584.67179 169s 1500 1.2112861 -0.39062708 0 0.47169327 1.521881 587.24778 169s 2000 1 -0.39956949 0 0.31233527 1.2496669 583.00676 169s 2500 1.2236323 -0.40128446 0 0.46982521 1.4276891 570.03729 169s 3000 1 -0.48849353 0 0.22341123 1.5091361 553.64637 169s 3500 1.2404547 -0.63017551 0 0.25291012 1.768107 535.22599 169s 4000 1 -0.71545964 0 -0.0035548789 2.2079822 516.73161 169s 4500 1.2270239 -0.78740977 0 0.086114399 2.6094706 503.17906 169s 5000 1 -0.8367971 0 -0.12489233 3.186175 498.73275 169s 5500 1.2257721 -0.77200456 0 0.10062844 2.6369599 502.75573 169s 6000 1 -0.6766551 0 0.035249665 2.2092944 512.08396 169s 6500 1.2201203 -0.67876788 0 0.18984154 1.8784541 517.92079 169s 7000 1 -0.68555696 0 0.026347797 1.8142356 516.44963 169s 7500 1.2482526 -0.7345934 0 0.15404357 2.0253109 511.4042 169s 8000 1 -0.70068231 0 0.011222455 2.1739831 504.55527 169s 8500 1.2151375 -0.77680457 0 0.088257564 2.6264947 498.00946 169s 9000 1 -0.74461165 0 -0.032706889 2.574656 498.14523 169s 9500 1.2047533 -0.75768848 0 0.09998113 2.4174997 501.8877 169s 10000 1 -0.67361996 0 0.038284798 2.2310948 507.57444 169s Loop time of 0.24531 on 1 procs for 10000 steps with 420 atoms 169s 169s Performance: 10566211.735 tau/day, 40764.706 timesteps/s, 17.121 Matom-step/s 169s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads 169s 169s MPI task timing breakdown: 169s Section | min time | avg time | max time |%varavg| %total 169s --------------------------------------------------------------- 169s Pair | 0.069349 | 0.069349 | 0.069349 | 0.0 | 28.27 169s Neigh | 0.023965 | 0.023965 | 0.023965 | 0.0 | 9.77 169s Comm | 0.0075336 | 0.0075336 | 0.0075336 | 0.0 | 3.07 169s Output | 0.00040128 | 0.00040128 | 0.00040128 | 0.0 | 0.16 169s Modify | 0.13138 | 0.13138 | 0.13138 | 0.0 | 53.56 169s Other | | 0.01268 | | | 5.17 169s 169s Nlocal: 420 ave 420 max 420 min 169s Histogram: 1 0 0 0 0 0 0 0 0 0 169s Nghost: 48 ave 48 max 48 min 169s Histogram: 1 0 0 0 0 0 0 0 0 0 169s Neighs: 1124 ave 1124 max 1124 min 169s Histogram: 1 0 0 0 0 0 0 0 0 0 169s 169s Total # of neighbors = 1124 169s Ave neighs/atom = 2.6761905 169s Neighbor list builds = 561 169s Dangerous builds = 0 169s Total wall time: 0:00:00 169s run: OK 169s autopkgtest [11:57:36]: test flow: -----------------------] 170s autopkgtest [11:57:37]: test flow: - - - - - - - - - - results - - - - - - - - - - 170s flow PASS 170s autopkgtest [11:57:37]: test friction: preparing testbed 171s Reading package lists... 171s Building dependency tree... 171s Reading state information... 171s Starting pkgProblemResolver with broken count: 0 171s Starting 2 pkgProblemResolver with broken count: 0 171s Done 172s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 173s autopkgtest [11:57:40]: test friction: [----------------------- 173s LAMMPS (7 Feb 2024 - Update 1) 173s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 173s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 173s using 1 OpenMP thread(s) per MPI task 173s Lattice spacing in x,y,z = 1.1326962 1.9618873 1.1326962 173s Created orthogonal box = (0 0 -0.28317404) to (56.634808 43.161521 0.28317404) 173s 2 by 1 by 1 MPI processor grid 173s Created 750 atoms 173s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 173s create_atoms CPU = 0.001 seconds 173s Created 750 atoms 173s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 173s create_atoms CPU = 0.000 seconds 173s Created 112 atoms 173s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 173s create_atoms CPU = 0.000 seconds 173s Created 112 atoms 173s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 173s create_atoms CPU = 0.000 seconds 173s 750 atoms in group lo 173s 862 atoms in group lo 173s 750 atoms in group hi 173s 862 atoms in group hi 173s 150 atoms in group lo-fixed 173s 150 atoms in group hi-fixed 173s 300 atoms in group boundary 173s 1424 atoms in group mobile 173s Setting atom values ... 173s 150 settings made for type 173s Setting atom values ... 173s 150 settings made for type 173s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 173s Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule 173s Neighbor list info ... 173s update: every = 1 steps, delay = 5 steps, check = yes 173s max neighbors/atom: 2000, page size: 100000 173s master list distance cutoff = 2.8 173s ghost atom cutoff = 2.8 173s binsize = 1.4, bins = 41 31 1 173s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 173s (1) pair lj/cut, perpetual 173s attributes: half, newton on 173s pair build: half/bin/atomonly/newton 173s stencil: half/bin/2d 173s bin: standard 173s Setting up Verlet run ... 173s Unit style : lj 173s Current step : 0 173s Time step : 0.0025 173s Per MPI rank memory allocation (min/avg/max) = 3.05 | 3.05 | 3.05 Mbytes 173s Step Temp E_pair E_mol TotEng Press Volume 173s 0 0.1 -3.1333672 0 -3.0920969 -1.1437663 2444.9333 173s 1000 0.081091635 -3.0930924 0 -3.0596257 -0.030127914 2444.9333 174s 2000 0.082087761 -3.0850474 0 -3.0511696 -0.44306626 2444.9333 174s 3000 0.088948343 -3.08139 0 -3.0446807 -0.25586469 2444.9333 174s 4000 0.091186493 -3.0656845 0 -3.0280515 -0.10060397 2444.9333 174s 5000 0.10802896 -3.0566391 0 -3.0120553 -0.13618814 2444.9333 174s 6000 0.1 -3.0489246 0 -3.0076543 -0.20314787 2444.9333 174s 7000 0.11587092 -3.0413277 0 -2.9935074 -0.37543734 2444.9333 174s 8000 0.1 -3.0296549 0 -2.9883846 -0.41894885 2444.9333 175s 9000 0.11363101 -3.0247314 0 -2.9778355 -0.43224741 2444.9333 175s 10000 0.11551834 -3.0287315 0 -2.9810568 -0.37046468 2444.9333 175s 11000 0.1131303 -3.0177397 0 -2.9710505 -0.48802477 2444.9333 175s 12000 0.1 -3.0280411 0 -2.9867708 -0.23387667 2444.9333 175s 13000 0.11507336 -3.0315952 0 -2.984104 -0.40349366 2444.9333 175s 14000 0.11501583 -3.0318726 0 -2.9844053 -0.31400965 2444.9333 175s 15000 0.10799871 -3.0337962 0 -2.9892248 -0.32505402 2444.9333 175s 16000 0.10673344 -3.0405071 0 -2.9964579 -0.24604448 2444.9333 175s 17000 0.10623843 -3.0391607 0 -2.9953158 -0.44372008 2444.9333 176s 18000 0.11358768 -3.0422681 0 -2.9953901 -0.30148543 2444.9333 176s 19000 0.11591119 -3.0468785 0 -2.9990416 -0.33570287 2444.9333 176s 20000 0.11149703 -3.0428984 0 -2.9968833 -0.34952494 2444.9333 176s Loop time of 2.66324 on 2 procs for 20000 steps with 1724 atoms 176s 176s Performance: 1622086.628 tau/day, 7509.660 timesteps/s, 12.947 Matom-step/s 176s 99.5% CPU use with 2 MPI tasks x 1 OpenMP threads 176s 176s MPI task timing breakdown: 176s Section | min time | avg time | max time |%varavg| %total 176s --------------------------------------------------------------- 176s Pair | 1.5478 | 1.6688 | 1.7899 | 9.4 | 62.66 176s Neigh | 0.12782 | 0.14016 | 0.15251 | 3.3 | 5.26 176s Comm | 0.2562 | 0.39245 | 0.5287 | 21.7 | 14.74 176s Output | 0.0005154 | 0.0010793 | 0.0016433 | 1.7 | 0.04 176s Modify | 0.33563 | 0.3598 | 0.38396 | 4.0 | 13.51 176s Other | | 0.1009 | | | 3.79 176s 176s Nlocal: 862 ave 868 max 856 min 176s Histogram: 1 0 0 0 0 0 0 0 0 1 176s Nghost: 160.5 ave 161 max 160 min 176s Histogram: 1 0 0 0 0 0 0 0 0 1 176s Neighs: 7178.5 ave 7223 max 7134 min 176s Histogram: 1 0 0 0 0 0 0 0 0 1 176s 176s Total # of neighbors = 14357 176s Ave neighs/atom = 8.3277262 176s Neighbor list builds = 716 176s Dangerous builds = 0 176s Total wall time: 0:00:02 176s LAMMPS (7 Feb 2024 - Update 1) 180s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 180s using 1 OpenMP thread(s) per MPI task 180s Lattice spacing in x,y,z = 1.1326962 1.9618873 1.1326962 180s Created orthogonal box = (0 0 -0.28317404) to (56.634808 43.161521 0.28317404) 180s 1 by 1 by 1 MPI processor grid 180s Created 750 atoms 180s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 180s create_atoms CPU = 0.001 seconds 180s Created 750 atoms 180s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 180s create_atoms CPU = 0.000 seconds 180s Created 112 atoms 180s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 180s create_atoms CPU = 0.000 seconds 180s Created 112 atoms 180s using lattice units in orthogonal box = (0 -0.0043161521 -0.28317404) to (56.634808 43.165837 0.28317404) 180s create_atoms CPU = 0.000 seconds 180s 750 atoms in group lo 180s 862 atoms in group lo 180s 750 atoms in group hi 180s 862 atoms in group hi 180s 150 atoms in group lo-fixed 180s 150 atoms in group hi-fixed 180s 300 atoms in group boundary 180s 1424 atoms in group mobile 180s Setting atom values ... 180s 150 settings made for type 180s Setting atom values ... 180s 150 settings made for type 180s WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) 180s Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule 180s Neighbor list info ... 180s update: every = 1 steps, delay = 5 steps, check = yes 180s max neighbors/atom: 2000, page size: 100000 180s master list distance cutoff = 2.8 180s ghost atom cutoff = 2.8 180s binsize = 1.4, bins = 41 31 1 180s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 180s (1) pair lj/cut, perpetual 180s attributes: half, newton on 180s pair build: half/bin/atomonly/newton 180s stencil: half/bin/2d 180s bin: standard 180s Setting up Verlet run ... 180s Unit style : lj 180s Current step : 0 180s Time step : 0.0025 180s Per MPI rank memory allocation (min/avg/max) = 3.059 | 3.059 | 3.059 Mbytes 180s Step Temp E_pair E_mol TotEng Press Volume 180s 0 0.1 -3.1333672 0 -3.0920969 -1.1437663 2444.9333 180s 1000 0.1 -3.0915072 0 -3.0502369 0.0099866805 2444.9333 180s 2000 0.1 -3.0826007 0 -3.0413304 -0.41998885 2444.9333 180s 3000 0.08982505 -3.0757908 0 -3.0387197 -0.25244271 2444.9333 180s 4000 0.098727892 -3.0666371 0 -3.0258918 -0.25382683 2444.9333 180s 5000 0.11345478 -3.0506905 0 -3.0038674 -0.029177812 2444.9333 180s 6000 0.11386723 -3.0515296 0 -3.0045363 -0.32135016 2444.9333 180s 7000 0.11555642 -3.0379879 0 -2.9902974 -0.40431666 2444.9333 180s 8000 0.10658282 -3.0364048 0 -2.9924178 -0.45722834 2444.9333 180s 9000 0.11650947 -3.0271611 0 -2.9790773 -0.4588819 2444.9333 180s 10000 0.10575546 -3.0298463 0 -2.9862007 -0.35241095 2444.9333 180s 11000 0.10953331 -3.0352955 0 -2.9900908 -0.4622173 2444.9333 180s 12000 0.11720787 -3.0378371 0 -2.989465 -0.27733023 2444.9333 180s 13000 0.11492573 -3.037974 0 -2.9905438 -0.43259084 2444.9333 180s 14000 0.11125454 -3.0413758 0 -2.9954607 -0.31244429 2444.9333 180s 15000 0.10882772 -3.0406062 0 -2.9956927 -0.30403665 2444.9333 180s 16000 0.1152685 -3.0433936 0 -2.9958219 -0.26659294 2444.9333 180s 17000 0.10840025 -3.0414208 0 -2.9966837 -0.36183887 2444.9333 180s 18000 0.11159326 -3.0416392 0 -2.9955843 -0.22725121 2444.9333 180s 19000 0.11530974 -3.0457005 0 -2.9981118 -0.36488457 2444.9333 180s 20000 0.1131733 -3.0417814 0 -2.9950744 -0.27902539 2444.9333 180s Loop time of 3.68488 on 1 procs for 20000 steps with 1724 atoms 180s 180s Performance: 1172357.625 tau/day, 5427.582 timesteps/s, 9.357 Matom-step/s 180s 99.8% CPU use with 1 MPI tasks x 1 OpenMP threads 180s 180s MPI task timing breakdown: 180s Section | min time | avg time | max time |%varavg| %total 180s --------------------------------------------------------------- 180s Pair | 2.683 | 2.683 | 2.683 | 0.0 | 72.81 180s Neigh | 0.21848 | 0.21848 | 0.21848 | 0.0 | 5.93 180s Comm | 0.042879 | 0.042879 | 0.042879 | 0.0 | 1.16 180s Output | 0.00067076 | 0.00067076 | 0.00067076 | 0.0 | 0.02 180s Modify | 0.65925 | 0.65925 | 0.65925 | 0.0 | 17.89 180s Other | | 0.08057 | | | 2.19 180s 180s Nlocal: 1724 ave 1724 max 1724 min 180s Histogram: 1 0 0 0 0 0 0 0 0 0 180s Nghost: 144 ave 144 max 144 min 180s Histogram: 1 0 0 0 0 0 0 0 0 0 180s Neighs: 14364 ave 14364 max 14364 min 180s Histogram: 1 0 0 0 0 0 0 0 0 0 180s 180s Total # of neighbors = 14364 180s Ave neighs/atom = 8.3317865 180s Neighbor list builds = 714 180s Dangerous builds = 0 180s Total wall time: 0:00:03 180s run: OK 180s autopkgtest [11:57:47]: test friction: -----------------------] 181s autopkgtest [11:57:48]: test friction: - - - - - - - - - - results - - - - - - - - - - 181s friction PASS 181s autopkgtest [11:57:48]: test hugo: preparing testbed 181s Reading package lists... 182s Building dependency tree... 182s Reading state information... 182s Starting pkgProblemResolver with broken count: 0 182s Starting 2 pkgProblemResolver with broken count: 0 182s Done 183s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 183s autopkgtest [11:57:50]: test hugo: [----------------------- 184s LAMMPS (7 Feb 2024 - Update 1) 184s WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) 184s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 184s using 1 OpenMP thread(s) per MPI task 184s Lattice spacing in x,y,z = 1.4142135 2 2 184s Created orthogonal box = (0 0 0) to (7.0710677 9.9999999 9.9999999) 184s 1 by 1 by 2 MPI processor grid 184s Created 1000 atoms 184s using lattice units in orthogonal box = (0 0 0) to (7.0710677 9.9999999 9.9999999) 184s create_atoms CPU = 0.001 seconds 184s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 184s Neighbor list info ... 184s update: every = 1 steps, delay = 0 steps, check = yes 184s max neighbors/atom: 2000, page size: 100000 184s master list distance cutoff = 1.8475372 184s ghost atom cutoff = 1.8475372 184s binsize = 0.92376862, bins = 8 11 11 184s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 184s (1) pair lj/cubic, perpetual 184s attributes: half, newton on 184s pair build: half/bin/atomonly/newton 184s stencil: half/bin/3d 184s bin: standard 184s Setting up cg style minimization ... 184s Unit style : lj 184s Current step : 0 184s WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies 184s (src/min.cpp:219) 184s Per MPI rank memory allocation (min/avg/max) = 4.237 | 4.237 | 4.237 Mbytes 184s Step Temp PotEng TotEng Pxx Pyy Pzz Lx Ly Lz 184s 0 0 -6.2937536 -6.2937536 -2.7722424 -2.7722424 -2.7722424 7.0710677 9.9999999 9.9999999 184s 100 0 -6.3319014 -6.3319014 -0.75971257 -0.75971257 -0.75971257 7.0003571 9.8999999 9.8999999 184s 134 0 -6.3344253 -6.3344253 -4.3497387e-13 -4.7220431e-13 -4.7089748e-13 6.9780267 9.8684199 9.8684199 184s Loop time of 0.028786 on 2 procs for 134 steps with 1000 atoms 184s 184s 98.5% CPU use with 2 MPI tasks x 1 OpenMP threads 184s 184s Minimization stats: 184s Stopping criterion = force tolerance 184s Energy initial, next-to-last, final = 184s -6.29375358358574 -6.33442531515467 -6.33442531515467 184s Force two-norm initial, final = 3395.2895 5.5900884e-10 184s Force max component initial, final = 1960.2713 3.2516979e-10 184s Final line search alpha, max atom move = 1 3.2516979e-10 184s Iterations, force evaluations = 134 137 184s 184s MPI task timing breakdown: 184s Section | min time | avg time | max time |%varavg| %total 184s --------------------------------------------------------------- 184s Pair | 0.015585 | 0.017176 | 0.018767 | 1.2 | 59.67 184s Neigh | 0.00042563 | 0.00046432 | 0.000503 | 0.0 | 1.61 184s Comm | 0.0045062 | 0.0060462 | 0.0075862 | 2.0 | 21.00 184s Output | 2.1018e-05 | 4.4577e-05 | 6.8135e-05 | 0.0 | 0.15 184s Modify | 0 | 0 | 0 | 0.0 | 0.00 184s Other | | 0.005055 | | | 17.56 184s 184s Nlocal: 500 ave 550 max 450 min 184s Histogram: 1 0 0 0 0 0 0 0 0 1 184s Nghost: 1214 ave 1264 max 1164 min 184s Histogram: 1 0 0 0 0 0 0 0 0 1 184s Neighs: 10500 ave 11550 max 9450 min 184s Histogram: 1 0 0 0 0 0 0 0 0 1 184s 184s Total # of neighbors = 21000 184s Ave neighs/atom = 21 184s Neighbor list builds = 1 184s Dangerous builds = 0 184s System init for write_restart ... 184s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 184s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 184s using 1 OpenMP thread(s) per MPI task 184s Reading restart file ... 184s restart file = 7 Feb 2024, LAMMPS = 7 Feb 2024 184s restoring atom style atomic from restart 184s orthogonal box = (0.046520549 0.065789991 0.065789991) to (7.0245472 9.9342099 9.9342099) 184s 1 by 1 by 2 MPI processor grid 184s restoring pair style lj/cubic from restart 184s 1000 atoms 184s read_restart CPU = 0.001 seconds 184s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 184s Neighbor list info ... 184s update: every = 1 steps, delay = 0 steps, check = yes 184s max neighbors/atom: 2000, page size: 100000 184s master list distance cutoff = 1.7475372 184s ghost atom cutoff = 1.7475372 184s binsize = 0.87376862, bins = 8 12 12 184s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 184s (1) pair lj/cubic, perpetual 184s attributes: half, newton on 184s pair build: half/bin/atomonly/newton 184s stencil: half/bin/3d 184s bin: standard 184s Setting up Verlet run ... 184s Unit style : lj 184s Current step : 0 184s Time step : 0.001 184s Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes 184s Step Temp KinEng E_pair Econserve Pzz v_tau Lz f_myhug v_dele v_us v_up 184s 0 0.01 0.014985 -6.3344253 -6.3194403 0.014355674 -0.00025875943 9.8684199 0 -0.004855272 2.3793218 0.0041072261 184s 1000 0.010142951 0.015199212 -2.1715786 -4183.8734 129.07448 58.487036 8.3141728 -4.1817171 0.93612119 23.511325 3.7371582 185s 2000 0.37217696 0.55770718 -5.501671 -1113.5078 12.361734 0.56717221 9.4220234 -1.1085639 -0.39798945 13.397419 0.62811105 185s 3000 0.52025677 0.77960476 -3.8549126 -3288.4446 57.946721 16.7702 8.5666574 -3.2853693 -0.20934692 17.195254 2.2940268 185s 4000 0.52000674 0.77923009 -4.0042813 -3180.1686 42.281055 5.2538452 8.5173574 -3.1769436 -0.37279124 14.42108 1.9958424 185s 5000 0.26632329 0.39908545 -5.1559109 -1725.4657 25.17764 3.3288258 8.8480337 -1.7207089 -0.22616494 12.779441 1.3411624 186s 6000 0.14673418 0.21988117 -3.7657368 -1845.8673 60.573444 14.615699 8.242708 -1.8423215 0.21289355 15.752155 2.6177037 186s 7000 0.085950705 0.12879713 -5.1644144 -1924.7174 30.48448 5.8732723 8.6787408 -1.9196818 -0.010600412 13.03827 1.5916113 186s 8000 0.040267888 0.060341431 -4.7547111 -1486.1603 41.506923 9.5593428 8.4878924 -1.4814659 0.11935469 14.137029 1.9986677 187s 9000 0.025458786 0.038149991 -4.5523455 -1642.5001 44.838555 9.9866475 8.4152155 -1.6379859 0.15016793 14.325688 2.1306608 187s 10000 0.013645992 0.020448519 -5.2852664 -2425.1699 28.141793 5.1524388 8.6994187 -2.419905 0.02671273 12.635999 1.516074 187s Loop time of 2.82449 on 2 procs for 10000 steps with 1000 atoms 187s 187s Performance: 305896.324 tau/day, 3540.467 timesteps/s, 3.540 Matom-step/s 187s 94.4% CPU use with 2 MPI tasks x 1 OpenMP threads 187s 187s MPI task timing breakdown: 187s Section | min time | avg time | max time |%varavg| %total 187s --------------------------------------------------------------- 187s Pair | 1.7046 | 1.7384 | 1.7723 | 2.6 | 61.55 187s Neigh | 0.095246 | 0.098909 | 0.10257 | 1.2 | 3.50 187s Comm | 0.4985 | 0.53626 | 0.57402 | 5.2 | 18.99 187s Output | 0.00049876 | 0.00070731 | 0.00091586 | 0.0 | 0.03 187s Modify | 0.39584 | 0.39837 | 0.4009 | 0.4 | 14.10 187s Other | | 0.05181 | | | 1.83 187s 187s Nlocal: 500 ave 510 max 490 min 187s Histogram: 1 0 0 0 0 0 0 0 0 1 187s Nghost: 1351.5 ave 1357 max 1346 min 187s Histogram: 1 0 0 0 0 0 0 0 0 1 187s Neighs: 10160.5 ave 10780 max 9541 min 187s Histogram: 1 0 0 0 0 0 0 0 0 1 187s 187s Total # of neighbors = 20321 187s Ave neighs/atom = 20.321 187s Neighbor list builds = 194 187s Dangerous builds = 0 187s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 187s using 1 OpenMP thread(s) per MPI task 187s Reading restart file ... 187s restart file = 7 Feb 2024, LAMMPS = 7 Feb 2024 187s restoring atom style atomic from restart 187s orthogonal box = (0.046520549 0.065789991 0.065789991) to (7.0245472 9.9342099 9.9342099) 187s 1 by 1 by 2 MPI processor grid 187s restoring pair style lj/cubic from restart 187s 1000 atoms 187s read_restart CPU = 0.000 seconds 187s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 187s Neighbor list info ... 187s update: every = 1 steps, delay = 0 steps, check = yes 187s max neighbors/atom: 2000, page size: 100000 187s master list distance cutoff = 1.7475372 187s ghost atom cutoff = 1.7475372 187s binsize = 0.87376862, bins = 8 12 12 187s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 187s (1) pair lj/cubic, perpetual 187s attributes: half, newton on 187s pair build: half/bin/atomonly/newton 187s stencil: half/bin/3d 187s bin: standard 187s Setting up Verlet run ... 187s Unit style : lj 187s Current step : 0 187s Time step : 0.001 187s Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes 187s Step Temp KinEng E_pair Econserve Pzz v_tau Lz f_myhug v_dele v_us v_up 187s 0 0.01 0.014985 -6.3344253 -6.3194403 0.014355674 -0.00025875943 9.8684199 0 -0.004855272 2.3793218 0.0041072261 187s 1000 0.0062486434 0.0093635921 -5.9891167 -1670.9585 18.915821 7.5825014 9.233799 -1.6649788 0.023420172 13.975961 0.92134379 187s 2000 0.0067916638 0.010177308 -5.4565133 -2537.9542 37.064222 15.536207 8.949588 -2.5325079 0.10233218 16.324942 1.5455443 187s 3000 0.0073287622 0.01098215 -5.3664364 -2643.9475 39.90842 16.808813 8.915463 -2.638592 0.11823484 16.639094 1.6327251 188s 4000 0.0070205928 0.010520358 -5.3625886 -2655.7942 40.007504 16.850221 8.9144166 -2.6504422 0.11869019 16.650758 1.6356322 188s 5000 0.007504613 0.011245663 -5.3630526 -2664.53 39.995767 16.844528 8.9145098 -2.6591782 0.11842922 16.649115 1.6353137 188s 6000 0.0076250338 0.011426113 -5.3627977 -2673.3599 39.995632 16.842795 8.9145438 -2.6680085 0.11826685 16.649378 1.6352823 189s 7000 0.0075689977 0.011342143 -5.3621825 -2682.2145 40.003065 16.845001 8.9145477 -2.6768636 0.11817069 16.650959 1.6354309 189s 8000 0.0078519894 0.011766206 -5.3620929 -2691.0711 39.995512 16.838121 8.9145618 -2.6857208 0.11790857 16.649508 1.6352647 189s 9000 0.0084026053 0.012591304 -5.3624375 -2700.1249 40.00216 16.845103 8.9145931 -2.694775 0.11780799 16.65116 1.6353742 189s 10000 0.0087571135 0.013122535 -5.3624901 -2708.9831 39.996386 16.840912 8.9146292 -2.7036337 0.11756735 16.650267 1.6352259 189s Loop time of 2.49512 on 2 procs for 10000 steps with 1000 atoms 189s 189s Performance: 346275.911 tau/day, 4007.823 timesteps/s, 4.008 Matom-step/s 189s 94.4% CPU use with 2 MPI tasks x 1 OpenMP threads 189s 189s MPI task timing breakdown: 189s Section | min time | avg time | max time |%varavg| %total 189s --------------------------------------------------------------- 189s Pair | 1.4254 | 1.4779 | 1.5303 | 4.3 | 59.23 189s Neigh | 0.0050253 | 0.0051225 | 0.0052197 | 0.1 | 0.21 189s Comm | 0.49528 | 0.54866 | 0.60204 | 7.2 | 21.99 189s Output | 0.00052828 | 0.0011018 | 0.0016754 | 1.7 | 0.04 189s Modify | 0.40984 | 0.40988 | 0.40992 | 0.0 | 16.43 189s Other | | 0.05249 | | | 2.10 189s 189s Nlocal: 500 ave 503 max 497 min 189s Histogram: 1 0 0 0 0 0 0 0 0 1 189s Nghost: 1214 ave 1217 max 1211 min 189s Histogram: 1 0 0 0 0 0 0 0 0 1 189s Neighs: 10500 ave 10560 max 10440 min 189s Histogram: 1 0 0 0 0 0 0 0 0 1 189s 189s Total # of neighbors = 21000 189s Ave neighs/atom = 21 189s Neighbor list builds = 10 189s Dangerous builds = 0 189s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 189s using 1 OpenMP thread(s) per MPI task 189s Reading restart file ... 189s restart file = 7 Feb 2024, LAMMPS = 7 Feb 2024 189s restoring atom style atomic from restart 189s orthogonal box = (0.046520549 0.065789991 0.065789991) to (7.0245472 9.9342099 9.9342099) 189s 1 by 1 by 2 MPI processor grid 189s restoring pair style lj/cubic from restart 189s 1000 atoms 189s read_restart CPU = 0.001 seconds 189s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 189s Neighbor list info ... 189s update: every = 1 steps, delay = 0 steps, check = yes 189s max neighbors/atom: 2000, page size: 100000 189s master list distance cutoff = 1.7475372 189s ghost atom cutoff = 1.7475372 189s binsize = 0.87376862, bins = 8 12 12 189s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 189s (1) pair lj/cubic, perpetual 189s attributes: half, newton on 189s pair build: half/bin/atomonly/newton 189s stencil: half/bin/3d 189s bin: standard 189s Setting up Verlet run ... 189s Unit style : lj 189s Current step : 0 189s Time step : 0.001 189s Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes 189s Step Temp KinEng E_pair Econserve Pzz v_tau Lz f_myhug v_dele v_us v_up 189s 0 0.01 0.014985 -6.3344253 -6.3194403 0.014355674 -0.00025875943 9.8684199 0 -0.004855272 2.3793218 0.0041072261 190s 1000 0.0081680995 0.012239897 -5.502183 -838.86998 35.611847 14.887133 8.9677725 -0.83338004 0.093826643 16.159657 1.5001702 190s 2000 0.019411571 0.02908824 -5.2936173 -1019.8648 41.786268 17.574468 8.8958707 -1.0146003 0.11822851 16.856679 1.6874844 190s 3000 0.047493358 0.071168797 -5.3442104 -973.41424 39.063178 16.131155 8.932271 -0.9681412 0.073773934 16.606449 1.6012863 190s 4000 0.11967749 0.17933672 -5.2091216 -1305.4423 40.847348 16.439268 8.9207902 -1.3004125 0.017533293 16.880106 1.647278 191s 5000 0.1321076 0.19796323 -5.2602273 -1221.8186 39.035827 15.56534 8.9413169 -1.2167564 -0.00091184948 16.679969 1.5931121 191s 6000 0.14696328 0.22022448 -5.1837201 -1395.6748 40.850308 16.268271 8.9221523 -1.3907113 -0.0051917075 16.892648 1.6461742 191s 7000 0.12077248 0.18097755 -5.2583118 -1181.0031 39.190631 15.648852 8.9380865 -1.1759258 0.0072501862 16.684492 1.5989963 191s 8000 0.14329465 0.21472703 -5.1714516 -1352.4587 40.863939 16.196848 8.9218327 -1.347502 -0.0071500832 16.892664 1.646722 192s 9000 0.12213842 0.18302442 -5.259117 -1191.6806 39.213345 15.658699 8.9368295 -1.1866045 0.0076494093 16.678266 1.6005204 192s 10000 0.1480674 0.221879 -5.1796888 -1362.5622 40.676046 16.107317 8.9229551 -1.3576044 -0.0093926147 16.863607 1.6419747 192s Loop time of 2.52094 on 2 procs for 10000 steps with 1000 atoms 192s 192s Performance: 342728.863 tau/day, 3966.769 timesteps/s, 3.967 Matom-step/s 192s 94.5% CPU use with 2 MPI tasks x 1 OpenMP threads 192s 192s MPI task timing breakdown: 192s Section | min time | avg time | max time |%varavg| %total 192s --------------------------------------------------------------- 192s Pair | 1.5119 | 1.5214 | 1.5309 | 0.8 | 60.35 192s Neigh | 0.045678 | 0.04675 | 0.047822 | 0.5 | 1.85 192s Comm | 0.48949 | 0.4986 | 0.5077 | 1.3 | 19.78 192s Output | 0.00049583 | 0.001543 | 0.0025902 | 2.7 | 0.06 192s Modify | 0.40073 | 0.402 | 0.40328 | 0.2 | 15.95 192s Other | | 0.05066 | | | 2.01 192s 192s Nlocal: 500 ave 503 max 497 min 192s Histogram: 1 0 0 0 0 0 0 0 0 1 192s Nghost: 1217.5 ave 1219 max 1216 min 192s Histogram: 1 0 0 0 0 0 0 0 0 1 192s Neighs: 10291 ave 10353 max 10229 min 192s Histogram: 1 0 0 0 0 0 0 0 0 1 192s 192s Total # of neighbors = 20582 192s Ave neighs/atom = 20.582 192s Neighbor list builds = 89 192s Dangerous builds = 0 192s Total wall time: 0:00:07 192s LAMMPS (7 Feb 2024 - Update 1) 192s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 192s using 1 OpenMP thread(s) per MPI task 192s Lattice spacing in x,y,z = 1.4142135 2 2 192s Created orthogonal box = (0 0 0) to (7.0710677 9.9999999 9.9999999) 192s 1 by 1 by 1 MPI processor grid 192s Created 1000 atoms 192s using lattice units in orthogonal box = (0 0 0) to (7.0710677 9.9999999 9.9999999) 192s create_atoms CPU = 0.000 seconds 192s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 192s Neighbor list info ... 192s update: every = 1 steps, delay = 0 steps, check = yes 192s max neighbors/atom: 2000, page size: 100000 192s master list distance cutoff = 1.8475372 192s ghost atom cutoff = 1.8475372 192s binsize = 0.92376862, bins = 8 11 11 192s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 192s (1) pair lj/cubic, perpetual 192s attributes: half, newton on 192s pair build: half/bin/atomonly/newton 192s stencil: half/bin/3d 192s bin: standard 192s Setting up cg style minimization ... 192s Unit style : lj 192s Current step : 0 192s WARNING: Energy due to 3 extra global DOFs will be included in minimizer energies 192s (src/min.cpp:219) 192s Per MPI rank memory allocation (min/avg/max) = 4.247 | 4.247 | 4.247 Mbytes 192s Step Temp PotEng TotEng Pxx Pyy Pzz Lx Ly Lz 192s 0 0 -6.2937536 -6.2937536 -2.7722424 -2.7722424 -2.7722424 7.0710677 9.9999999 9.9999999 192s 100 0 -6.3319014 -6.3319014 -0.75971257 -0.75971257 -0.75971257 7.0003571 9.8999999 9.8999999 192s 134 0 -6.3344253 -6.3344253 -4.3330648e-13 -4.7530261e-13 -4.7130069e-13 6.9780267 9.8684199 9.8684199 192s Loop time of 0.0493345 on 1 procs for 134 steps with 1000 atoms 192s 192s 99.4% CPU use with 1 MPI tasks x 1 OpenMP threads 192s 192s Minimization stats: 192s Stopping criterion = force tolerance 192s Energy initial, next-to-last, final = 192s -6.29375358358557 -6.33442531515503 -6.33442531515503 192s Force two-norm initial, final = 3395.2895 5.5740327e-10 192s Force max component initial, final = 1960.2713 3.2730334e-10 192s Final line search alpha, max atom move = 1 3.2730334e-10 192s Iterations, force evaluations = 134 137 192s 192s MPI task timing breakdown: 192s Section | min time | avg time | max time |%varavg| %total 192s --------------------------------------------------------------- 192s Pair | 0.039322 | 0.039322 | 0.039322 | 0.0 | 79.71 192s Neigh | 0.00079104 | 0.00079104 | 0.00079104 | 0.0 | 1.60 192s Comm | 0.0021737 | 0.0021737 | 0.0021737 | 0.0 | 4.41 192s Output | 2.8753e-05 | 2.8753e-05 | 2.8753e-05 | 0.0 | 0.06 192s Modify | 0 | 0 | 0 | 0.0 | 0.00 192s Other | | 0.007019 | | | 14.23 192s 192s Nlocal: 1000 ave 1000 max 1000 min 192s Histogram: 1 0 0 0 0 0 0 0 0 0 192s Nghost: 1724 ave 1724 max 1724 min 192s Histogram: 1 0 0 0 0 0 0 0 0 0 192s Neighs: 21000 ave 21000 max 21000 min 192s Histogram: 1 0 0 0 0 0 0 0 0 0 192s 192s Total # of neighbors = 21000 192s Ave neighs/atom = 21 192s Neighbor list builds = 1 192s Dangerous builds = 0 192s System init for write_restart ... 192s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 192s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 192s using 1 OpenMP thread(s) per MPI task 192s Reading restart file ... 192s restart file = 7 Feb 2024, LAMMPS = 7 Feb 2024 192s restoring atom style atomic from restart 192s orthogonal box = (0.046520549 0.065789991 0.065789991) to (7.0245472 9.9342099 9.9342099) 192s 1 by 1 by 1 MPI processor grid 192s restoring pair style lj/cubic from restart 192s 1000 atoms 192s read_restart CPU = 0.001 seconds 192s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 192s Neighbor list info ... 192s update: every = 1 steps, delay = 0 steps, check = yes 192s max neighbors/atom: 2000, page size: 100000 192s master list distance cutoff = 1.7475372 192s ghost atom cutoff = 1.7475372 192s binsize = 0.87376862, bins = 8 12 12 192s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 197s (1) pair lj/cubic, perpetual 197s attributes: half, newton on 197s pair build: half/bin/atomonly/newton 197s stencil: half/bin/3d 197s bin: standard 197s Setting up Verlet run ... 197s Unit style : lj 197s Current step : 0 197s Time step : 0.001 197s Per MPI rank memory allocation (min/avg/max) = 3.124 | 3.124 | 3.124 Mbytes 197s Step Temp KinEng E_pair Econserve Pzz v_tau Lz f_myhug v_dele v_us v_up 197s 0 0.01 0.014985 -6.3344253 -6.3194403 0.014381062 -0.00023971829 9.8684199 0 -0.004855267 2.3814248 0.0041108563 197s 1000 0.0093381492 0.013993217 -2.1704431 -4183.8284 129.15284 58.544409 8.3142517 -4.1816719 0.93744212 23.519052 3.7381985 197s 2000 0.24794859 0.37155095 -5.8915826 -528.38691 8.3849811 1.3744297 9.5938806 -0.52286688 -0.24350394 13.910493 0.41033425 197s 3000 0.3892042 0.5832225 -3.7686896 -3442.3257 72.742382 28.486576 8.6238082 -3.4391402 0.0038227739 19.697354 2.5139569 197s 4000 0.67010303 1.0041494 -4.2080956 -2935.8105 35.596234 3.9346859 8.7508489 -2.9326065 -0.58038927 14.529876 1.6677093 197s 5000 0.41845028 0.62704774 -4.8392822 -1894.6664 30.624319 4.6370699 8.7827304 -1.8904542 -0.31998377 13.670423 1.5249748 197s 6000 0.22409652 0.33580864 -3.7653422 -2666.4156 50.804071 7.220865 8.25496 -2.6629861 -0.017448126 14.48017 2.3883779 197s 7000 0.094832866 0.14210705 -4.5432169 -2337.0271 35.853414 3.4750842 8.4475655 -2.332626 -0.052659776 12.95347 1.8841809 197s 8000 0.043338745 0.06494311 -4.6249403 -1687.4892 39.679004 6.7256868 8.4321684 -1.6829292 0.070571417 13.554654 1.9927395 197s 9000 0.018233343 0.027322664 -4.425909 -1916.4941 41.680023 5.9079935 8.3470382 -1.9120955 0.090887676 13.502397 2.1013348 197s 10000 0.0082616415 0.01238007 -4.6221264 -1723.6542 39.842157 6.5678795 8.41093 -1.7190444 0.099616538 13.484322 2.0113699 197s Loop time of 5.22324 on 1 procs for 10000 steps with 1000 atoms 197s 197s Performance: 165414.679 tau/day, 1914.522 timesteps/s, 1.915 Matom-step/s 197s 99.4% CPU use with 1 MPI tasks x 1 OpenMP threads 197s 197s MPI task timing breakdown: 197s Section | min time | avg time | max time |%varavg| %total 197s --------------------------------------------------------------- 197s Pair | 4.1935 | 4.1935 | 4.1935 | 0.0 | 80.29 197s Neigh | 0.19191 | 0.19191 | 0.19191 | 0.0 | 3.67 197s Comm | 0.17022 | 0.17022 | 0.17022 | 0.0 | 3.26 197s Output | 0.0004531 | 0.0004531 | 0.0004531 | 0.0 | 0.01 197s Modify | 0.62781 | 0.62781 | 0.62781 | 0.0 | 12.02 197s Other | | 0.03932 | | | 0.75 197s 197s Nlocal: 1000 ave 1000 max 1000 min 197s Histogram: 1 0 0 0 0 0 0 0 0 0 197s Nghost: 1886 ave 1886 max 1886 min 197s Histogram: 1 0 0 0 0 0 0 0 0 0 197s Neighs: 20874 ave 20874 max 20874 min 197s Histogram: 1 0 0 0 0 0 0 0 0 0 197s 197s Total # of neighbors = 20874 197s Ave neighs/atom = 20.874 197s Neighbor list builds = 188 197s Dangerous builds = 0 197s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 197s using 1 OpenMP thread(s) per MPI task 197s Reading restart file ... 197s restart file = 7 Feb 2024, LAMMPS = 7 Feb 2024 197s restoring atom style atomic from restart 197s orthogonal box = (0.046520549 0.065789991 0.065789991) to (7.0245472 9.9342099 9.9342099) 197s 1 by 1 by 1 MPI processor grid 197s restoring pair style lj/cubic from restart 197s 1000 atoms 197s read_restart CPU = 0.000 seconds 197s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 197s Neighbor list info ... 202s update: every = 1 steps, delay = 0 steps, check = yes 202s max neighbors/atom: 2000, page size: 100000 202s master list distance cutoff = 1.7475372 202s ghost atom cutoff = 1.7475372 202s binsize = 0.87376862, bins = 8 12 12 202s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 202s (1) pair lj/cubic, perpetual 202s attributes: half, newton on 202s pair build: half/bin/atomonly/newton 202s stencil: half/bin/3d 202s bin: standard 202s Setting up Verlet run ... 202s Unit style : lj 202s Current step : 0 202s Time step : 0.001 202s Per MPI rank memory allocation (min/avg/max) = 3.124 | 3.124 | 3.124 Mbytes 202s Step Temp KinEng E_pair Econserve Pzz v_tau Lz f_myhug v_dele v_us v_up 202s 0 0.01 0.014985 -6.3344253 -6.3194403 0.014381062 -0.00023971829 9.8684199 0 -0.004855267 2.3814248 0.0041108563 202s 1000 0.0062572988 0.0093765623 -5.989087 -1670.9191 18.918118 7.5844401 9.2338165 -1.6649394 0.023419337 13.976997 0.92138738 202s 2000 0.0068451081 0.010257394 -5.456581 -2537.81 37.064253 15.537266 8.9496405 -2.5323637 0.10230605 16.325406 1.5455016 202s 3000 0.0073276099 0.010980423 -5.3663421 -2643.8751 39.907292 16.807489 8.9154852 -2.6385198 0.11818116 16.63905 1.6326832 202s 4000 0.0069296906 0.010384141 -5.36234 -2655.7228 40.010742 16.851482 8.9144328 -2.6503709 0.11868137 16.651571 1.6356847 202s 5000 0.0076142461 0.011409948 -5.3631443 -2664.4499 39.997648 16.846756 8.9145416 -2.6590982 0.1184114 16.649779 1.6353254 202s 6000 0.0077053831 0.011546517 -5.3628538 -2673.2444 39.991598 16.840314 8.9145803 -2.667893 0.11818361 16.648852 1.6351691 202s 7000 0.0077405663 0.011599239 -5.3623531 -2682.1589 40.000448 16.844009 8.9145774 -2.6768081 0.11809899 16.650669 1.6353525 202s 8000 0.0080673569 0.012088934 -5.3623755 -2691.0104 39.995327 16.840134 8.9146099 -2.6856601 0.11787103 16.649882 1.6352204 202s 9000 0.0083223083 0.012470979 -5.3622988 -2699.8929 40.00571 16.847764 8.9146503 -2.6945431 0.11781523 16.652389 1.6353987 202s 10000 0.0091249116 0.01367368 -5.3630138 -2708.966 39.987197 16.837314 8.9146848 -2.7036167 0.11743014 16.648832 1.6349911 202s Loop time of 4.56445 on 1 procs for 10000 steps with 1000 atoms 202s 202s Performance: 189289.036 tau/day, 2190.845 timesteps/s, 2.191 Matom-step/s 202s 99.2% CPU use with 1 MPI tasks x 1 OpenMP threads 202s 202s MPI task timing breakdown: 202s Section | min time | avg time | max time |%varavg| %total 202s --------------------------------------------------------------- 202s Pair | 3.7513 | 3.7513 | 3.7513 | 0.0 | 82.18 202s Neigh | 0.010576 | 0.010576 | 0.010576 | 0.0 | 0.23 202s Comm | 0.1514 | 0.1514 | 0.1514 | 0.0 | 3.32 202s Output | 0.00054182 | 0.00054182 | 0.00054182 | 0.0 | 0.01 202s Modify | 0.61487 | 0.61487 | 0.61487 | 0.0 | 13.47 202s Other | | 0.0358 | | | 0.78 202s 202s Nlocal: 1000 ave 1000 max 1000 min 202s Histogram: 1 0 0 0 0 0 0 0 0 0 202s Nghost: 1724 ave 1724 max 1724 min 202s Histogram: 1 0 0 0 0 0 0 0 0 0 202s Neighs: 21000 ave 21000 max 21000 min 202s Histogram: 1 0 0 0 0 0 0 0 0 0 202s 202s Total # of neighbors = 21000 202s Ave neighs/atom = 21 202s Neighbor list builds = 11 202s Dangerous builds = 0 202s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 202s using 1 OpenMP thread(s) per MPI task 202s Reading restart file ... 202s restart file = 7 Feb 2024, LAMMPS = 7 Feb 2024 202s restoring atom style atomic from restart 207s orthogonal box = (0.046520549 0.065789991 0.065789991) to (7.0245472 9.9342099 9.9342099) 207s 1 by 1 by 1 MPI processor grid 207s restoring pair style lj/cubic from restart 207s 1000 atoms 207s read_restart CPU = 0.001 seconds 207s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 207s Neighbor list info ... 207s update: every = 1 steps, delay = 0 steps, check = yes 207s max neighbors/atom: 2000, page size: 100000 207s master list distance cutoff = 1.7475372 207s ghost atom cutoff = 1.7475372 207s binsize = 0.87376862, bins = 8 12 12 207s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 207s (1) pair lj/cubic, perpetual 207s attributes: half, newton on 207s pair build: half/bin/atomonly/newton 207s stencil: half/bin/3d 207s bin: standard 207s Setting up Verlet run ... 207s Unit style : lj 207s Current step : 0 207s Time step : 0.001 207s Per MPI rank memory allocation (min/avg/max) = 3.124 | 3.124 | 3.124 Mbytes 207s Step Temp KinEng E_pair Econserve Pzz v_tau Lz f_myhug v_dele v_us v_up 207s 0 0.01 0.014985 -6.3344253 -6.3194403 0.014381062 -0.00023971829 9.8684199 0 -0.004855267 2.3814248 0.0041108563 207s 1000 0.0083300318 0.012482553 -5.5023183 -838.99233 35.610078 14.886668 8.9677982 -0.83350249 0.093761717 16.159482 1.500112 207s 2000 0.020386436 0.030549075 -5.294934 -1021.4347 41.760404 17.563313 8.8960328 -1.0161703 0.1178086 16.852842 1.6868239 207s 3000 0.049693082 0.074465084 -5.3469418 -982.1922 39.030412 16.123502 8.9325589 -0.97691972 0.073097533 16.601991 1.6003728 207s 4000 0.11859524 0.17771497 -5.207074 -1299.948 40.941639 16.507821 8.9213137 -1.2949186 0.018189971 16.904165 1.6487306 207s 5000 0.130146 0.19502378 -5.261025 -1208.3405 39.059595 15.609328 8.9431689 -1.2032745 -0.00023811036 16.701434 1.5920334 207s 6000 0.13812959 0.20698719 -5.1710048 -1334.1421 40.904888 16.242199 8.9222846 -1.329178 -0.0044756362 16.90509 1.6471606 207s 7000 0.12107441 0.18143001 -5.2602562 -1170.0585 39.060849 15.577606 8.9397535 -1.1649797 0.005587398 16.671517 1.5949415 207s 8000 0.14333426 0.21478639 -5.1717109 -1352.635 40.876285 16.205871 8.9218128 -1.3476781 -0.0069373292 16.895041 1.6469877 207s 9000 0.12159783 0.18221435 -5.2591928 -1186.8604 39.22852 15.6778 8.9376658 -1.1817834 0.0077335044 16.68885 1.6001243 207s 10000 0.15321647 0.22959488 -5.188176 -1391.2245 40.666599 16.146259 8.9228489 -1.3862659 -0.0091900905 16.860718 1.6418747 207s Loop time of 4.65071 on 1 procs for 10000 steps with 1000 atoms 207s 207s Performance: 185778.027 tau/day, 2150.209 timesteps/s, 2.150 Matom-step/s 207s 99.5% CPU use with 1 MPI tasks x 1 OpenMP threads 207s 207s MPI task timing breakdown: 207s Section | min time | avg time | max time |%varavg| %total 207s --------------------------------------------------------------- 207s Pair | 3.7464 | 3.7464 | 3.7464 | 0.0 | 80.56 207s Neigh | 0.095918 | 0.095918 | 0.095918 | 0.0 | 2.06 207s Comm | 0.15405 | 0.15405 | 0.15405 | 0.0 | 3.31 207s Output | 0.00050635 | 0.00050635 | 0.00050635 | 0.0 | 0.01 207s Modify | 0.61301 | 0.61301 | 0.61301 | 0.0 | 13.18 207s Other | | 0.04078 | | | 0.88 207s 207s Nlocal: 1000 ave 1000 max 1000 min 207s Histogram: 1 0 0 0 0 0 0 0 0 0 207s Nghost: 1724 ave 1724 max 1724 min 207s Histogram: 1 0 0 0 0 0 0 0 0 0 207s Neighs: 20654 ave 20654 max 20654 min 207s Histogram: 1 0 0 0 0 0 0 0 0 0 207s 207s Total # of neighbors = 20654 207s Ave neighs/atom = 20.654 207s Neighbor list builds = 94 207s Dangerous builds = 0 207s Total wall time: 0:00:14 207s run: OK 207s autopkgtest [11:58:14]: test hugo: -----------------------] 208s hugo PASS 208s autopkgtest [11:58:15]: test hugo: - - - - - - - - - - results - - - - - - - - - - 208s autopkgtest [11:58:15]: test command1: preparing testbed 285s autopkgtest [11:59:32]: testbed dpkg architecture: amd64 285s autopkgtest [11:59:32]: testbed apt version: 3.0.0 285s autopkgtest [11:59:32]: @@@@@@@@@@@@@@@@@@@@ test bed setup 285s autopkgtest [11:59:32]: testbed release detected to be: questing 286s autopkgtest [11:59:33]: updating testbed package index (apt update) 286s Get:1 http://ftpmaster.internal/ubuntu questing-proposed InRelease [110 kB] 287s Hit:2 http://ftpmaster.internal/ubuntu questing InRelease 287s Hit:3 http://ftpmaster.internal/ubuntu questing-updates InRelease 287s Hit:4 http://ftpmaster.internal/ubuntu questing-security InRelease 287s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/multiverse Sources [44.6 kB] 287s Get:6 http://ftpmaster.internal/ubuntu questing-proposed/main Sources [155 kB] 287s Get:7 http://ftpmaster.internal/ubuntu questing-proposed/universe Sources [1655 kB] 287s Get:8 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 Packages [198 kB] 287s Get:9 http://ftpmaster.internal/ubuntu questing-proposed/main i386 Packages [146 kB] 287s Get:10 http://ftpmaster.internal/ubuntu questing-proposed/universe i386 Packages [562 kB] 287s Get:11 http://ftpmaster.internal/ubuntu questing-proposed/universe amd64 Packages [1372 kB] 287s Get:12 http://ftpmaster.internal/ubuntu questing-proposed/multiverse i386 Packages [13.2 kB] 287s Get:13 http://ftpmaster.internal/ubuntu questing-proposed/multiverse amd64 Packages [15.0 kB] 288s Fetched 4272 kB in 1s (3574 kB/s) 289s Reading package lists... 289s autopkgtest [11:59:36]: upgrading testbed (apt dist-upgrade and autopurge) 289s Reading package lists... 290s Building dependency tree... 290s Reading state information... 291s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 291s Starting 2 pkgProblemResolver with broken count: 0 291s Done 291s Entering ResolveByKeep 292s 292s Calculating upgrade... 292s The following packages will be upgraded: 292s debianutils libnftnl11 libzstd1 python3-lazr.restfulclient zstd 292s 5 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 292s Need to get 1193 kB of archives. 292s After this operation, 503 kB disk space will be freed. 292s Get:1 http://ftpmaster.internal/ubuntu questing/main amd64 debianutils amd64 5.22 [93.0 kB] 292s Get:2 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 libzstd1 amd64 1.5.7+dfsg-1 [308 kB] 292s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 libnftnl11 amd64 1.2.9-1 [69.1 kB] 292s Get:4 http://ftpmaster.internal/ubuntu questing/main amd64 python3-lazr.restfulclient all 0.14.6-3 [51.0 kB] 292s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/main amd64 zstd amd64 1.5.7+dfsg-1 [672 kB] 293s Fetched 1193 kB in 1s (2215 kB/s) 293s (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 ... 80514 files and directories currently installed.) 293s Preparing to unpack .../debianutils_5.22_amd64.deb ... 293s Unpacking debianutils (5.22) over (5.21) ... 293s Setting up debianutils (5.22) ... 293s (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 ... 80514 files and directories currently installed.) 293s Preparing to unpack .../libzstd1_1.5.7+dfsg-1_amd64.deb ... 293s Unpacking libzstd1:amd64 (1.5.7+dfsg-1) over (1.5.6+dfsg-2) ... 293s Setting up libzstd1:amd64 (1.5.7+dfsg-1) ... 294s (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 ... 80514 files and directories currently installed.) 294s Preparing to unpack .../libnftnl11_1.2.9-1_amd64.deb ... 294s Unpacking libnftnl11:amd64 (1.2.9-1) over (1.2.8-1) ... 294s Preparing to unpack .../python3-lazr.restfulclient_0.14.6-3_all.deb ... 294s Unpacking python3-lazr.restfulclient (0.14.6-3) over (0.14.6-2) ... 294s Preparing to unpack .../zstd_1.5.7+dfsg-1_amd64.deb ... 294s Unpacking zstd (1.5.7+dfsg-1) over (1.5.6+dfsg-2) ... 294s Setting up libnftnl11:amd64 (1.2.9-1) ... 294s Setting up python3-lazr.restfulclient (0.14.6-3) ... 294s Setting up zstd (1.5.7+dfsg-1) ... 294s Processing triggers for man-db (2.13.0-1) ... 295s Processing triggers for libc-bin (2.41-6ubuntu1) ... 296s Reading package lists... 296s Building dependency tree... 296s Reading state information... 296s Starting pkgProblemResolver with broken count: 0 297s Starting 2 pkgProblemResolver with broken count: 0 297s Done 297s Solving dependencies... 297s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 300s Reading package lists... 300s Building dependency tree... 300s Reading state information... 300s Starting pkgProblemResolver with broken count: 0 300s Starting 2 pkgProblemResolver with broken count: 0 300s Done 301s The following NEW packages will be installed: 301s autoconf automake autotools-dev cpp-14 cpp-14-x86-64-linux-gnu 301s fontconfig-config fonts-dejavu-core fonts-dejavu-mono gcc-14 301s gcc-14-x86-64-linux-gnu gfortran-14 gfortran-14-x86-64-linux-gnu libaec0 301s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcairo2 libcc1-0 libdeflate0 301s libdouble-conversion3 libdrm-intel1 libevent-2.1-7t64 libevent-dev 301s libevent-extra-2.1-7t64 libevent-openssl-2.1-7t64 libevent-pthreads-2.1-7t64 301s libfabric1 libfftw3-double3 libfontconfig1 libgbm1 libgcc-14-dev 301s libgfortran-14-dev libgfortran5 libgl1 libgl1-mesa-dri libgl2ps1.4 301s libglew2.2 libglvnd0 libglx-mesa0 libglx0 libgomp1 libhdf5-310 301s libhdf5-hl-310 libhsa-runtime64-1 libhsakmt1 libhwasan0 libhwloc-dev 301s libhwloc-plugins libhwloc15 libibmad5 libibumad3 libibverbs-dev libisl23 301s libitm1 libjbig0 libjpeg-turbo8 libjpeg8 libjs-jquery libjs-jquery-ui 301s libjsoncpp26 libkim-api2 liblammps-dev liblammps0t64 liblapack3 liblerc4 301s libllvm17t64 liblsan0 libltdl-dev libltdl7 libmpc3 libmunge2 libnetcdf22 301s libnl-3-dev libnl-route-3-dev libnuma-dev libogg0 libopengl0 libopenmpi-dev 301s libopenmpi40 libpciaccess0 libpixman-1-0 libpmix-dev libpmix2t64 libpnetcdf6 301s libproj25 libpsm-infinipath1 libpsm2-2 libquadmath0 librdmacm1t64 301s libsharpyuv0 libsz2 libtbb12 libtbbbind-2-5 libtbbmalloc2 libtcl8.6 301s libtheoradec1 libtheoraenc1 libtiff6 libtk8.6 libtsan2 libubsan1 libucx0 301s libvoro++1 libvtk9.3 libvulkan1 libwayland-server0 libwebp7 libx11-xcb1 301s libxcb-dri3-0 libxcb-glx0 libxcb-present0 libxcb-randr0 libxcb-render0 301s libxcb-shm0 libxcb-sync1 libxcb-xfixes0 libxft2 libxnvctrl0 libxrender1 301s libxshmfence1 libxss1 libxxf86vm1 m4 mesa-libgallium mpi-default-bin 301s mpi-default-dev ocl-icd-libopencl1 openmpi-bin openmpi-common proj-data 301s python3-lammps x11-common zlib1g-dev 301s 0 upgraded, 134 newly installed, 0 to remove and 0 not upgraded. 301s Need to get 202 MB of archives. 301s After this operation, 793 MB of additional disk space will be used. 301s Get:1 http://ftpmaster.internal/ubuntu questing/main amd64 m4 amd64 1.4.19-7 [263 kB] 301s Get:2 http://ftpmaster.internal/ubuntu questing/main amd64 autoconf all 2.72-3ubuntu1 [383 kB] 301s Get:3 http://ftpmaster.internal/ubuntu questing/main amd64 autotools-dev all 20220109.1 [44.9 kB] 301s Get:4 http://ftpmaster.internal/ubuntu questing/main amd64 automake all 1:1.17-3ubuntu1 [572 kB] 302s Get:5 http://ftpmaster.internal/ubuntu questing/main amd64 libisl23 amd64 0.27-1 [685 kB] 302s Get:6 http://ftpmaster.internal/ubuntu questing/main amd64 libmpc3 amd64 1.3.1-1build2 [55.3 kB] 302s Get:7 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [11.9 MB] 302s Get:8 http://ftpmaster.internal/ubuntu questing/main amd64 cpp-14 amd64 14.2.0-19ubuntu2 [1030 B] 302s Get:9 http://ftpmaster.internal/ubuntu questing/main amd64 fonts-dejavu-mono all 2.37-8 [502 kB] 302s Get:10 http://ftpmaster.internal/ubuntu questing/main amd64 fonts-dejavu-core all 2.37-8 [835 kB] 302s Get:11 http://ftpmaster.internal/ubuntu questing/main amd64 fontconfig-config amd64 2.15.0-2.2ubuntu1 [37.8 kB] 302s Get:12 http://ftpmaster.internal/ubuntu questing/main amd64 libcc1-0 amd64 15-20250404-0ubuntu1 [47.1 kB] 302s Get:13 http://ftpmaster.internal/ubuntu questing/main amd64 libgomp1 amd64 15-20250404-0ubuntu1 [151 kB] 302s Get:14 http://ftpmaster.internal/ubuntu questing/main amd64 libitm1 amd64 15-20250404-0ubuntu1 [29.5 kB] 302s Get:15 http://ftpmaster.internal/ubuntu questing/main amd64 libasan8 amd64 15-20250404-0ubuntu1 [3076 kB] 302s Get:16 http://ftpmaster.internal/ubuntu questing/main amd64 liblsan0 amd64 15-20250404-0ubuntu1 [1362 kB] 302s Get:17 http://ftpmaster.internal/ubuntu questing/main amd64 libtsan2 amd64 15-20250404-0ubuntu1 [2760 kB] 302s Get:18 http://ftpmaster.internal/ubuntu questing/main amd64 libubsan1 amd64 15-20250404-0ubuntu1 [1211 kB] 302s Get:19 http://ftpmaster.internal/ubuntu questing/main amd64 libhwasan0 amd64 15-20250404-0ubuntu1 [1687 kB] 302s Get:20 http://ftpmaster.internal/ubuntu questing/main amd64 libquadmath0 amd64 15-20250404-0ubuntu1 [153 kB] 302s Get:21 http://ftpmaster.internal/ubuntu questing/main amd64 libgcc-14-dev amd64 14.2.0-19ubuntu2 [2815 kB] 303s Get:22 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [23.3 MB] 303s Get:23 http://ftpmaster.internal/ubuntu questing/main amd64 gcc-14 amd64 14.2.0-19ubuntu2 [540 kB] 303s Get:24 http://ftpmaster.internal/ubuntu questing/main amd64 libgfortran5 amd64 15-20250404-0ubuntu1 [926 kB] 303s Get:25 http://ftpmaster.internal/ubuntu questing/main amd64 libgfortran-14-dev amd64 14.2.0-19ubuntu2 [967 kB] 303s Get:26 http://ftpmaster.internal/ubuntu questing/main amd64 gfortran-14-x86-64-linux-gnu amd64 14.2.0-19ubuntu2 [12.5 MB] 304s Get:27 http://ftpmaster.internal/ubuntu questing/main amd64 gfortran-14 amd64 14.2.0-19ubuntu2 [14.2 kB] 304s Get:28 http://ftpmaster.internal/ubuntu questing/universe amd64 libaec0 amd64 1.1.3-1 [22.7 kB] 304s Get:29 http://ftpmaster.internal/ubuntu questing/universe amd64 libllvm17t64 amd64 1:17.0.6-21 [26.0 MB] 305s Get:30 http://ftpmaster.internal/ubuntu questing/universe amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3build2 [14.4 MB] 305s Get:31 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsakmt1 amd64 5.7.0-1build1 [62.9 kB] 305s Get:32 http://ftpmaster.internal/ubuntu questing/universe amd64 libhsa-runtime64-1 amd64 5.7.1-2build1 [491 kB] 305s Get:33 http://ftpmaster.internal/ubuntu questing/universe amd64 libamdhip64-5 amd64 5.7.1-5build1 [9702 kB] 306s Get:34 http://ftpmaster.internal/ubuntu questing/main amd64 libblas3 amd64 3.12.1-2 [359 kB] 306s Get:35 http://ftpmaster.internal/ubuntu questing/main amd64 libfontconfig1 amd64 2.15.0-2.2ubuntu1 [164 kB] 306s Get:36 http://ftpmaster.internal/ubuntu questing/main amd64 libpixman-1-0 amd64 0.44.0-3 [427 kB] 306s Get:37 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-render0 amd64 1.17.0-2 [16.2 kB] 306s Get:38 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-shm0 amd64 1.17.0-2 [5758 B] 306s Get:39 http://ftpmaster.internal/ubuntu questing/main amd64 libxrender1 amd64 1:0.9.10-1.1build1 [19.0 kB] 306s Get:40 http://ftpmaster.internal/ubuntu questing/main amd64 libcairo2 amd64 1.18.4-1 [662 kB] 306s Get:41 http://ftpmaster.internal/ubuntu questing/main amd64 libdeflate0 amd64 1.23-2 [49.9 kB] 306s Get:42 http://ftpmaster.internal/ubuntu questing/universe amd64 libdouble-conversion3 amd64 3.3.1-1 [41.7 kB] 306s Get:43 http://ftpmaster.internal/ubuntu questing/main amd64 libpciaccess0 amd64 0.17-3build1 [18.6 kB] 306s Get:44 http://ftpmaster.internal/ubuntu questing/main amd64 libdrm-intel1 amd64 2.4.124-2 [68.9 kB] 306s Get:45 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10 [144 kB] 306s Get:46 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-extra-2.1-7t64 amd64 2.1.12-stable-10 [64.2 kB] 306s Get:47 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-pthreads-2.1-7t64 amd64 2.1.12-stable-10 [7966 B] 306s Get:48 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-openssl-2.1-7t64 amd64 2.1.12-stable-10 [15.7 kB] 306s Get:49 http://ftpmaster.internal/ubuntu questing/main amd64 libevent-dev amd64 2.1.12-stable-10 [274 kB] 306s Get:50 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.4 [179 kB] 306s Get:51 http://ftpmaster.internal/ubuntu questing/universe amd64 libpsm2-2 amd64 11.2.185-2.1 [193 kB] 306s Get:52 http://ftpmaster.internal/ubuntu questing/main amd64 librdmacm1t64 amd64 56.0-4ubuntu1 [71.5 kB] 306s Get:53 http://ftpmaster.internal/ubuntu questing/universe amd64 libfabric1 amd64 1.17.0-3.1 [789 kB] 306s Get:54 http://ftpmaster.internal/ubuntu questing/main amd64 libfftw3-double3 amd64 3.3.10-2fakesync1build1 [839 kB] 306s Get:55 http://ftpmaster.internal/ubuntu questing/main amd64 libwayland-server0 amd64 1.23.1-3 [37.2 kB] 306s Get:56 http://ftpmaster.internal/ubuntu questing/main amd64 libx11-xcb1 amd64 2:1.8.10-2 [7944 B] 306s Get:57 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-dri3-0 amd64 1.17.0-2 [7508 B] 306s Get:58 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-present0 amd64 1.17.0-2 [6064 B] 306s Get:59 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-randr0 amd64 1.17.0-2 [17.9 kB] 306s Get:60 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-sync1 amd64 1.17.0-2 [9312 B] 306s Get:61 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-xfixes0 amd64 1.17.0-2 [10.2 kB] 306s Get:62 http://ftpmaster.internal/ubuntu questing/main amd64 libxshmfence1 amd64 1.3.3-1 [5262 B] 306s Get:63 http://ftpmaster.internal/ubuntu questing/main amd64 mesa-libgallium amd64 25.0.3-1ubuntu2 [12.1 MB] 306s Get:64 http://ftpmaster.internal/ubuntu questing/main amd64 libgbm1 amd64 25.0.3-1ubuntu2 [33.4 kB] 306s Get:65 http://ftpmaster.internal/ubuntu questing/main amd64 libvulkan1 amd64 1.4.304.0-1 [147 kB] 306s Get:66 http://ftpmaster.internal/ubuntu questing/main amd64 libgl1-mesa-dri amd64 25.0.3-1ubuntu2 [35.7 kB] 306s Get:67 http://ftpmaster.internal/ubuntu questing/main amd64 libglvnd0 amd64 1.7.0-1build1 [69.6 kB] 306s Get:68 http://ftpmaster.internal/ubuntu questing/main amd64 libxcb-glx0 amd64 1.17.0-2 [24.8 kB] 306s Get:69 http://ftpmaster.internal/ubuntu questing/main amd64 libxxf86vm1 amd64 1:1.1.4-1build4 [9282 B] 306s Get:70 http://ftpmaster.internal/ubuntu questing/main amd64 libglx-mesa0 amd64 25.0.3-1ubuntu2 [146 kB] 306s Get:71 http://ftpmaster.internal/ubuntu questing/main amd64 libglx0 amd64 1.7.0-1build1 [38.6 kB] 306s Get:72 http://ftpmaster.internal/ubuntu questing/main amd64 libgl1 amd64 1.7.0-1build1 [102 kB] 306s Get:73 http://ftpmaster.internal/ubuntu questing/universe amd64 libgl2ps1.4 amd64 1.4.2+dfsg1-2build1 [41.9 kB] 306s Get:74 http://ftpmaster.internal/ubuntu questing/universe amd64 libglew2.2 amd64 2.2.0-4build1 [187 kB] 306s Get:75 http://ftpmaster.internal/ubuntu questing/universe amd64 libsz2 amd64 1.1.3-1 [5456 B] 306s Get:76 http://ftpmaster.internal/ubuntu questing/universe amd64 libhdf5-310 amd64 1.14.5+repack-3 [1519 kB] 306s Get:77 http://ftpmaster.internal/ubuntu questing/universe amd64 libhdf5-hl-310 amd64 1.14.5+repack-3 [62.6 kB] 306s Get:78 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc15 amd64 2.12.0-1 [194 kB] 306s Get:79 http://ftpmaster.internal/ubuntu questing/main amd64 libjpeg-turbo8 amd64 2.1.5-3ubuntu2 [179 kB] 306s Get:80 http://ftpmaster.internal/ubuntu questing/main amd64 libjpeg8 amd64 8c-2ubuntu11 [2148 B] 306s Get:81 http://ftpmaster.internal/ubuntu questing/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [328 kB] 307s Get:82 http://ftpmaster.internal/ubuntu questing/universe amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [252 kB] 307s Get:83 http://ftpmaster.internal/ubuntu questing/main amd64 libjsoncpp26 amd64 1.9.6-3 [90.0 kB] 307s Get:84 http://ftpmaster.internal/ubuntu questing/universe amd64 libkim-api2 amd64 2.3.0-1ubuntu1 [588 kB] 307s Get:85 http://ftpmaster.internal/ubuntu questing/main amd64 liblapack3 amd64 3.12.1-2 [3179 kB] 307s Get:86 http://ftpmaster.internal/ubuntu questing/universe amd64 libnetcdf22 amd64 1:4.9.3-1 [574 kB] 307s Get:87 http://ftpmaster.internal/ubuntu questing/universe amd64 libmunge2 amd64 0.5.16-1 [16.5 kB] 307s Get:88 http://ftpmaster.internal/ubuntu questing/main amd64 libxnvctrl0 amd64 510.47.03-0ubuntu4 [12.6 kB] 307s Get:89 http://ftpmaster.internal/ubuntu questing/universe amd64 ocl-icd-libopencl1 amd64 2.3.2-1build1 [38.5 kB] 307s Get:90 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc-plugins amd64 2.12.0-1 [16.0 kB] 307s Get:91 http://ftpmaster.internal/ubuntu questing/universe amd64 libpmix2t64 amd64 5.0.6-5 [714 kB] 307s Get:92 http://ftpmaster.internal/ubuntu questing/main amd64 libibumad3 amd64 56.0-4ubuntu1 [31.2 kB] 307s Get:93 http://ftpmaster.internal/ubuntu questing/main amd64 libibmad5 amd64 56.0-4ubuntu1 [43.9 kB] 307s Get:94 http://ftpmaster.internal/ubuntu questing/universe amd64 libucx0 amd64 1.18.1+ds-2 [1293 kB] 307s Get:95 http://ftpmaster.internal/ubuntu questing/universe amd64 libopenmpi40 amd64 5.0.7-1 [2526 kB] 307s Get:96 http://ftpmaster.internal/ubuntu questing/universe amd64 libpnetcdf6 amd64 1.14.0-2 [1059 kB] 307s Get:97 http://ftpmaster.internal/ubuntu questing/universe amd64 libvoro++1 amd64 0.5+revert-to-0.4.6+dfsg1-1 [119 kB] 307s Get:98 http://ftpmaster.internal/ubuntu questing/main amd64 libogg0 amd64 1.3.5-3build1 [22.7 kB] 307s Get:99 http://ftpmaster.internal/ubuntu questing/main amd64 libopengl0 amd64 1.7.0-1build1 [32.8 kB] 307s Get:100 http://ftpmaster.internal/ubuntu questing/universe amd64 proj-data all 9.5.1-1 [7924 kB] 307s Get:101 http://ftpmaster.internal/ubuntu questing/main amd64 libjbig0 amd64 2.1-6.1ubuntu2 [29.7 kB] 307s Get:102 http://ftpmaster.internal/ubuntu questing/main amd64 liblerc4 amd64 4.0.0+ds-5ubuntu1 [271 kB] 308s Get:103 http://ftpmaster.internal/ubuntu questing/main amd64 libsharpyuv0 amd64 1.5.0-0.1 [25.9 kB] 308s Get:104 http://ftpmaster.internal/ubuntu questing/main amd64 libwebp7 amd64 1.5.0-0.1 [378 kB] 308s Get:105 http://ftpmaster.internal/ubuntu questing/main amd64 libtiff6 amd64 4.7.0-3ubuntu1 [204 kB] 308s Get:106 http://ftpmaster.internal/ubuntu questing/universe amd64 libproj25 amd64 9.5.1-1 [1499 kB] 308s Get:107 http://ftpmaster.internal/ubuntu questing/universe amd64 libtbbbind-2-5 amd64 2022.0.0-2 [15.8 kB] 308s Get:108 http://ftpmaster.internal/ubuntu questing/universe amd64 libtbbmalloc2 amd64 2022.0.0-2 [55.7 kB] 308s Get:109 http://ftpmaster.internal/ubuntu questing/universe amd64 libtbb12 amd64 2022.0.0-2 [103 kB] 308s Get:110 http://ftpmaster.internal/ubuntu questing/main amd64 libtcl8.6 amd64 8.6.16+dfsg-1 [1086 kB] 308s Get:111 http://ftpmaster.internal/ubuntu questing/main amd64 libtheoradec1 amd64 1.2.0~alpha1+dfsg-6 [70.3 kB] 308s Get:112 http://ftpmaster.internal/ubuntu questing/main amd64 libtheoraenc1 amd64 1.2.0~alpha1+dfsg-6 [115 kB] 308s Get:113 http://ftpmaster.internal/ubuntu questing/main amd64 libxft2 amd64 2.3.6-1build1 [45.3 kB] 308s Get:114 http://ftpmaster.internal/ubuntu questing/main amd64 x11-common all 1:7.7+23ubuntu4 [21.8 kB] 308s Get:115 http://ftpmaster.internal/ubuntu questing/main amd64 libxss1 amd64 1:1.2.3-1build3 [7204 B] 308s Get:116 http://ftpmaster.internal/ubuntu questing/main amd64 libtk8.6 amd64 8.6.16-1 [868 kB] 308s Get:117 http://ftpmaster.internal/ubuntu questing/universe amd64 libvtk9.3 amd64 9.3.0+dfsg1-4ubuntu1 [25.3 MB] 309s Get:118 http://ftpmaster.internal/ubuntu questing/universe amd64 liblammps0t64 amd64 20240207+dfsg-3build3 [8393 kB] 310s Get:119 http://ftpmaster.internal/ubuntu questing/universe amd64 openmpi-common all 5.0.7-1 [97.9 kB] 310s Get:120 http://ftpmaster.internal/ubuntu questing/main amd64 libnl-3-dev amd64 3.7.0-2 [113 kB] 310s Get:121 http://ftpmaster.internal/ubuntu questing/main amd64 libnl-route-3-dev amd64 3.7.0-2 [225 kB] 310s Get:122 http://ftpmaster.internal/ubuntu questing/main amd64 libibverbs-dev amd64 56.0-4ubuntu1 [687 kB] 310s Get:123 http://ftpmaster.internal/ubuntu questing/main amd64 libnuma-dev amd64 2.0.18-1build1 [37.0 kB] 310s Get:124 http://ftpmaster.internal/ubuntu questing/main amd64 libltdl7 amd64 2.5.4-4 [46.5 kB] 310s Get:125 http://ftpmaster.internal/ubuntu questing/main amd64 libltdl-dev amd64 2.5.4-4 [176 kB] 310s Get:126 http://ftpmaster.internal/ubuntu questing/universe amd64 libhwloc-dev amd64 2.12.0-1 [290 kB] 310s Get:127 http://ftpmaster.internal/ubuntu questing/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1ubuntu1 [895 kB] 310s Get:128 http://ftpmaster.internal/ubuntu questing/universe amd64 libpmix-dev amd64 5.0.6-5 [4060 kB] 310s Get:129 http://ftpmaster.internal/ubuntu questing/universe amd64 openmpi-bin amd64 5.0.7-1 [192 kB] 310s Get:130 http://ftpmaster.internal/ubuntu questing/universe amd64 libopenmpi-dev amd64 5.0.7-1 [1085 kB] 310s Get:131 http://ftpmaster.internal/ubuntu questing/universe amd64 mpi-default-dev amd64 1.18 [3320 B] 310s Get:132 http://ftpmaster.internal/ubuntu questing/universe amd64 liblammps-dev amd64 20240207+dfsg-3build3 [112 kB] 310s Get:133 http://ftpmaster.internal/ubuntu questing/universe amd64 mpi-default-bin amd64 1.18 [2510 B] 310s Get:134 http://ftpmaster.internal/ubuntu questing/universe amd64 python3-lammps amd64 20240207+dfsg-3build3 [70.5 kB] 311s Fetched 202 MB in 9s (22.3 MB/s) 311s Selecting previously unselected package m4. 311s (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 ... 80514 files and directories currently installed.) 311s Preparing to unpack .../000-m4_1.4.19-7_amd64.deb ... 311s Unpacking m4 (1.4.19-7) ... 311s Selecting previously unselected package autoconf. 311s Preparing to unpack .../001-autoconf_2.72-3ubuntu1_all.deb ... 311s Unpacking autoconf (2.72-3ubuntu1) ... 311s Selecting previously unselected package autotools-dev. 311s Preparing to unpack .../002-autotools-dev_20220109.1_all.deb ... 311s Unpacking autotools-dev (20220109.1) ... 311s Selecting previously unselected package automake. 311s Preparing to unpack .../003-automake_1%3a1.17-3ubuntu1_all.deb ... 311s Unpacking automake (1:1.17-3ubuntu1) ... 311s Selecting previously unselected package libisl23:amd64. 311s Preparing to unpack .../004-libisl23_0.27-1_amd64.deb ... 311s Unpacking libisl23:amd64 (0.27-1) ... 311s Selecting previously unselected package libmpc3:amd64. 311s Preparing to unpack .../005-libmpc3_1.3.1-1build2_amd64.deb ... 311s Unpacking libmpc3:amd64 (1.3.1-1build2) ... 311s Selecting previously unselected package cpp-14-x86-64-linux-gnu. 311s Preparing to unpack .../006-cpp-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 311s Unpacking cpp-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 311s Selecting previously unselected package cpp-14. 311s Preparing to unpack .../007-cpp-14_14.2.0-19ubuntu2_amd64.deb ... 311s Unpacking cpp-14 (14.2.0-19ubuntu2) ... 311s Selecting previously unselected package fonts-dejavu-mono. 311s Preparing to unpack .../008-fonts-dejavu-mono_2.37-8_all.deb ... 311s Unpacking fonts-dejavu-mono (2.37-8) ... 311s Selecting previously unselected package fonts-dejavu-core. 311s Preparing to unpack .../009-fonts-dejavu-core_2.37-8_all.deb ... 311s Unpacking fonts-dejavu-core (2.37-8) ... 311s Selecting previously unselected package fontconfig-config. 311s Preparing to unpack .../010-fontconfig-config_2.15.0-2.2ubuntu1_amd64.deb ... 312s Unpacking fontconfig-config (2.15.0-2.2ubuntu1) ... 312s Selecting previously unselected package libcc1-0:amd64. 312s Preparing to unpack .../011-libcc1-0_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libcc1-0:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libgomp1:amd64. 312s Preparing to unpack .../012-libgomp1_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libgomp1:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libitm1:amd64. 312s Preparing to unpack .../013-libitm1_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libitm1:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libasan8:amd64. 312s Preparing to unpack .../014-libasan8_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libasan8:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package liblsan0:amd64. 312s Preparing to unpack .../015-liblsan0_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking liblsan0:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libtsan2:amd64. 312s Preparing to unpack .../016-libtsan2_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libtsan2:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libubsan1:amd64. 312s Preparing to unpack .../017-libubsan1_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libubsan1:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libhwasan0:amd64. 312s Preparing to unpack .../018-libhwasan0_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libhwasan0:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libquadmath0:amd64. 312s Preparing to unpack .../019-libquadmath0_15-20250404-0ubuntu1_amd64.deb ... 312s Unpacking libquadmath0:amd64 (15-20250404-0ubuntu1) ... 312s Selecting previously unselected package libgcc-14-dev:amd64. 312s Preparing to unpack .../020-libgcc-14-dev_14.2.0-19ubuntu2_amd64.deb ... 312s Unpacking libgcc-14-dev:amd64 (14.2.0-19ubuntu2) ... 312s Selecting previously unselected package gcc-14-x86-64-linux-gnu. 312s Preparing to unpack .../021-gcc-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 312s Unpacking gcc-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 313s Selecting previously unselected package gcc-14. 313s Preparing to unpack .../022-gcc-14_14.2.0-19ubuntu2_amd64.deb ... 313s Unpacking gcc-14 (14.2.0-19ubuntu2) ... 313s Selecting previously unselected package libgfortran5:amd64. 313s Preparing to unpack .../023-libgfortran5_15-20250404-0ubuntu1_amd64.deb ... 313s Unpacking libgfortran5:amd64 (15-20250404-0ubuntu1) ... 313s Selecting previously unselected package libgfortran-14-dev:amd64. 313s Preparing to unpack .../024-libgfortran-14-dev_14.2.0-19ubuntu2_amd64.deb ... 313s Unpacking libgfortran-14-dev:amd64 (14.2.0-19ubuntu2) ... 313s Selecting previously unselected package gfortran-14-x86-64-linux-gnu. 313s Preparing to unpack .../025-gfortran-14-x86-64-linux-gnu_14.2.0-19ubuntu2_amd64.deb ... 313s Unpacking gfortran-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 313s Selecting previously unselected package gfortran-14. 313s Preparing to unpack .../026-gfortran-14_14.2.0-19ubuntu2_amd64.deb ... 313s Unpacking gfortran-14 (14.2.0-19ubuntu2) ... 313s Selecting previously unselected package libaec0:amd64. 313s Preparing to unpack .../027-libaec0_1.1.3-1_amd64.deb ... 313s Unpacking libaec0:amd64 (1.1.3-1) ... 313s Selecting previously unselected package libllvm17t64:amd64. 313s Preparing 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315s Selecting previously unselected package libevent-2.1-7t64:amd64. 315s Preparing to unpack .../044-libevent-2.1-7t64_2.1.12-stable-10_amd64.deb ... 315s Unpacking libevent-2.1-7t64:amd64 (2.1.12-stable-10) ... 315s Selecting previously unselected package libevent-extra-2.1-7t64:amd64. 315s Preparing to unpack .../045-libevent-extra-2.1-7t64_2.1.12-stable-10_amd64.deb ... 315s Unpacking libevent-extra-2.1-7t64:amd64 (2.1.12-stable-10) ... 315s Selecting previously unselected package libevent-pthreads-2.1-7t64:amd64. 315s Preparing to unpack .../046-libevent-pthreads-2.1-7t64_2.1.12-stable-10_amd64.deb ... 315s Unpacking libevent-pthreads-2.1-7t64:amd64 (2.1.12-stable-10) ... 315s Selecting previously unselected package libevent-openssl-2.1-7t64:amd64. 315s Preparing to unpack .../047-libevent-openssl-2.1-7t64_2.1.12-stable-10_amd64.deb ... 315s Unpacking libevent-openssl-2.1-7t64:amd64 (2.1.12-stable-10) ... 315s Selecting previously unselected package libevent-dev. 315s Preparing to unpack .../048-libevent-dev_2.1.12-stable-10_amd64.deb ... 315s Unpacking libevent-dev (2.1.12-stable-10) ... 315s Selecting previously unselected package libpsm-infinipath1. 315s Preparing to unpack .../049-libpsm-infinipath1_3.3+20.604758e7-6.4_amd64.deb ... 315s Unpacking libpsm-infinipath1 (3.3+20.604758e7-6.4) ... 315s Selecting previously unselected package libpsm2-2. 315s Preparing to unpack .../050-libpsm2-2_11.2.185-2.1_amd64.deb ... 315s Unpacking libpsm2-2 (11.2.185-2.1) ... 315s Selecting previously unselected package librdmacm1t64:amd64. 316s Preparing to unpack .../051-librdmacm1t64_56.0-4ubuntu1_amd64.deb ... 316s Unpacking librdmacm1t64:amd64 (56.0-4ubuntu1) ... 316s Selecting previously unselected package libfabric1:amd64. 316s Preparing to unpack .../052-libfabric1_1.17.0-3.1_amd64.deb ... 316s Unpacking libfabric1:amd64 (1.17.0-3.1) ... 316s Selecting previously unselected package libfftw3-double3:amd64. 316s Preparing to unpack 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Unpacking libgbm1:amd64 (25.0.3-1ubuntu2) ... 316s Selecting previously unselected package libvulkan1:amd64. 316s Preparing to unpack .../064-libvulkan1_1.4.304.0-1_amd64.deb ... 316s Unpacking libvulkan1:amd64 (1.4.304.0-1) ... 316s Selecting previously unselected package libgl1-mesa-dri:amd64. 316s Preparing to unpack .../065-libgl1-mesa-dri_25.0.3-1ubuntu2_amd64.deb ... 316s Unpacking libgl1-mesa-dri:amd64 (25.0.3-1ubuntu2) ... 316s Selecting previously unselected package libglvnd0:amd64. 316s Preparing to unpack .../066-libglvnd0_1.7.0-1build1_amd64.deb ... 316s Unpacking libglvnd0:amd64 (1.7.0-1build1) ... 316s Selecting previously unselected package libxcb-glx0:amd64. 316s Preparing to unpack .../067-libxcb-glx0_1.17.0-2_amd64.deb ... 316s Unpacking libxcb-glx0:amd64 (1.17.0-2) ... 316s Selecting previously unselected package libxxf86vm1:amd64. 316s Preparing to unpack .../068-libxxf86vm1_1%3a1.1.4-1build4_amd64.deb ... 316s Unpacking libxxf86vm1:amd64 (1:1.1.4-1build4) ... 316s Selecting previously unselected package libglx-mesa0:amd64. 316s Preparing to unpack .../069-libglx-mesa0_25.0.3-1ubuntu2_amd64.deb ... 316s Unpacking libglx-mesa0:amd64 (25.0.3-1ubuntu2) ... 316s Selecting previously unselected package libglx0:amd64. 316s Preparing to unpack .../070-libglx0_1.7.0-1build1_amd64.deb ... 316s Unpacking libglx0:amd64 (1.7.0-1build1) ... 317s Selecting previously unselected package libgl1:amd64. 317s Preparing to unpack .../071-libgl1_1.7.0-1build1_amd64.deb ... 317s Unpacking libgl1:amd64 (1.7.0-1build1) ... 317s Selecting previously unselected package libgl2ps1.4. 317s Preparing to unpack .../072-libgl2ps1.4_1.4.2+dfsg1-2build1_amd64.deb ... 317s Unpacking libgl2ps1.4 (1.4.2+dfsg1-2build1) ... 317s Selecting previously unselected package libglew2.2:amd64. 317s Preparing to unpack .../073-libglew2.2_2.2.0-4build1_amd64.deb ... 317s Unpacking libglew2.2:amd64 (2.2.0-4build1) ... 317s Selecting previously unselected package libsz2:amd64. 317s Preparing to unpack .../074-libsz2_1.1.3-1_amd64.deb ... 317s Unpacking libsz2:amd64 (1.1.3-1) ... 317s Selecting previously unselected package libhdf5-310:amd64. 317s Preparing to unpack .../075-libhdf5-310_1.14.5+repack-3_amd64.deb ... 317s Unpacking libhdf5-310:amd64 (1.14.5+repack-3) ... 317s Selecting previously unselected package libhdf5-hl-310:amd64. 317s Preparing to unpack .../076-libhdf5-hl-310_1.14.5+repack-3_amd64.deb ... 317s Unpacking libhdf5-hl-310:amd64 (1.14.5+repack-3) ... 317s Selecting previously unselected package libhwloc15:amd64. 317s Preparing to unpack .../077-libhwloc15_2.12.0-1_amd64.deb ... 317s Unpacking libhwloc15:amd64 (2.12.0-1) ... 317s Selecting previously unselected package libjpeg-turbo8:amd64. 317s Preparing to unpack .../078-libjpeg-turbo8_2.1.5-3ubuntu2_amd64.deb ... 317s Unpacking libjpeg-turbo8:amd64 (2.1.5-3ubuntu2) ... 317s Selecting previously unselected package libjpeg8:amd64. 317s Preparing to unpack .../079-libjpeg8_8c-2ubuntu11_amd64.deb ... 317s 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unselected package libnetcdf22:amd64. 317s Preparing to unpack .../085-libnetcdf22_1%3a4.9.3-1_amd64.deb ... 317s Unpacking libnetcdf22:amd64 (1:4.9.3-1) ... 317s Selecting previously unselected package libmunge2:amd64. 317s Preparing to unpack .../086-libmunge2_0.5.16-1_amd64.deb ... 317s Unpacking libmunge2:amd64 (0.5.16-1) ... 317s Selecting previously unselected package libxnvctrl0:amd64. 317s Preparing to unpack .../087-libxnvctrl0_510.47.03-0ubuntu4_amd64.deb ... 317s Unpacking libxnvctrl0:amd64 (510.47.03-0ubuntu4) ... 317s Selecting previously unselected package ocl-icd-libopencl1:amd64. 317s Preparing to unpack .../088-ocl-icd-libopencl1_2.3.2-1build1_amd64.deb ... 317s Unpacking ocl-icd-libopencl1:amd64 (2.3.2-1build1) ... 317s Selecting previously unselected package libhwloc-plugins:amd64. 317s Preparing to unpack .../089-libhwloc-plugins_2.12.0-1_amd64.deb ... 317s Unpacking libhwloc-plugins:amd64 (2.12.0-1) ... 317s Selecting previously unselected package libpmix2t64:amd64. 317s Preparing to unpack .../090-libpmix2t64_5.0.6-5_amd64.deb ... 317s Unpacking libpmix2t64:amd64 (5.0.6-5) ... 318s Selecting previously unselected package libibumad3:amd64. 318s Preparing to unpack .../091-libibumad3_56.0-4ubuntu1_amd64.deb ... 318s Unpacking libibumad3:amd64 (56.0-4ubuntu1) ... 318s Selecting previously unselected package libibmad5:amd64. 318s Preparing to unpack .../092-libibmad5_56.0-4ubuntu1_amd64.deb ... 318s Unpacking libibmad5:amd64 (56.0-4ubuntu1) ... 318s Selecting previously unselected package libucx0:amd64. 318s Preparing to unpack .../093-libucx0_1.18.1+ds-2_amd64.deb ... 318s Unpacking libucx0:amd64 (1.18.1+ds-2) ... 318s Selecting previously unselected package libopenmpi40:amd64. 318s Preparing to unpack .../094-libopenmpi40_5.0.7-1_amd64.deb ... 318s Unpacking libopenmpi40:amd64 (5.0.7-1) ... 318s Selecting previously unselected package libpnetcdf6:amd64. 318s Preparing to unpack .../095-libpnetcdf6_1.14.0-2_amd64.deb ... 318s Unpacking libpnetcdf6:amd64 (1.14.0-2) ... 318s Selecting previously unselected package libvoro++1. 318s Preparing to unpack .../096-libvoro++1_0.5+revert-to-0.4.6+dfsg1-1_amd64.deb ... 318s Unpacking libvoro++1 (0.5+revert-to-0.4.6+dfsg1-1) ... 318s Selecting previously unselected package libogg0:amd64. 318s Preparing to unpack .../097-libogg0_1.3.5-3build1_amd64.deb ... 318s Unpacking libogg0:amd64 (1.3.5-3build1) ... 318s Selecting previously unselected package libopengl0:amd64. 318s Preparing to unpack .../098-libopengl0_1.7.0-1build1_amd64.deb ... 318s Unpacking libopengl0:amd64 (1.7.0-1build1) ... 318s Selecting previously unselected package proj-data. 318s Preparing to unpack .../099-proj-data_9.5.1-1_all.deb ... 318s Unpacking proj-data (9.5.1-1) ... 318s Selecting previously unselected package libjbig0:amd64. 318s Preparing to unpack .../100-libjbig0_2.1-6.1ubuntu2_amd64.deb ... 318s Unpacking libjbig0:amd64 (2.1-6.1ubuntu2) ... 318s Selecting previously unselected package liblerc4:amd64. 318s Preparing to unpack .../101-liblerc4_4.0.0+ds-5ubuntu1_amd64.deb ... 318s Unpacking liblerc4:amd64 (4.0.0+ds-5ubuntu1) ... 318s Selecting previously unselected package libsharpyuv0:amd64. 318s Preparing to unpack .../102-libsharpyuv0_1.5.0-0.1_amd64.deb ... 318s Unpacking libsharpyuv0:amd64 (1.5.0-0.1) ... 318s Selecting previously unselected package libwebp7:amd64. 318s Preparing to unpack .../103-libwebp7_1.5.0-0.1_amd64.deb ... 318s Unpacking libwebp7:amd64 (1.5.0-0.1) ... 318s Selecting previously unselected package libtiff6:amd64. 318s Preparing to unpack .../104-libtiff6_4.7.0-3ubuntu1_amd64.deb ... 318s Unpacking libtiff6:amd64 (4.7.0-3ubuntu1) ... 318s Selecting previously unselected package libproj25:amd64. 318s Preparing to unpack .../105-libproj25_9.5.1-1_amd64.deb ... 318s Unpacking libproj25:amd64 (9.5.1-1) ... 318s Selecting previously unselected package libtbbbind-2-5:amd64. 318s Preparing to unpack .../106-libtbbbind-2-5_2022.0.0-2_amd64.deb ... 318s Unpacking libtbbbind-2-5:amd64 (2022.0.0-2) ... 318s Selecting previously unselected package libtbbmalloc2:amd64. 318s Preparing to unpack .../107-libtbbmalloc2_2022.0.0-2_amd64.deb ... 318s Unpacking libtbbmalloc2:amd64 (2022.0.0-2) ... 318s Selecting previously unselected package libtbb12:amd64. 318s Preparing to unpack .../108-libtbb12_2022.0.0-2_amd64.deb ... 318s Unpacking libtbb12:amd64 (2022.0.0-2) ... 319s Selecting previously unselected package libtcl8.6:amd64. 319s Preparing to unpack .../109-libtcl8.6_8.6.16+dfsg-1_amd64.deb ... 319s Unpacking libtcl8.6:amd64 (8.6.16+dfsg-1) ... 319s Selecting previously unselected package libtheoradec1:amd64. 319s Preparing to unpack .../110-libtheoradec1_1.2.0~alpha1+dfsg-6_amd64.deb ... 319s Unpacking libtheoradec1:amd64 (1.2.0~alpha1+dfsg-6) ... 319s Selecting previously unselected package libtheoraenc1:amd64. 319s Preparing to unpack .../111-libtheoraenc1_1.2.0~alpha1+dfsg-6_amd64.deb ... 319s Unpacking libtheoraenc1:amd64 (1.2.0~alpha1+dfsg-6) ... 319s Selecting previously unselected package libxft2:amd64. 319s Preparing to unpack .../112-libxft2_2.3.6-1build1_amd64.deb ... 319s Unpacking libxft2:amd64 (2.3.6-1build1) ... 319s Selecting previously unselected package x11-common. 319s Preparing to unpack .../113-x11-common_1%3a7.7+23ubuntu4_all.deb ... 319s Unpacking x11-common (1:7.7+23ubuntu4) ... 319s Selecting previously unselected package libxss1:amd64. 319s Preparing to unpack .../114-libxss1_1%3a1.2.3-1build3_amd64.deb ... 319s Unpacking libxss1:amd64 (1:1.2.3-1build3) ... 319s Selecting previously unselected package libtk8.6:amd64. 319s Preparing to unpack .../115-libtk8.6_8.6.16-1_amd64.deb ... 319s Unpacking libtk8.6:amd64 (8.6.16-1) ... 319s Selecting previously unselected package libvtk9.3:amd64. 319s Preparing to unpack .../116-libvtk9.3_9.3.0+dfsg1-4ubuntu1_amd64.deb ... 319s Unpacking libvtk9.3:amd64 (9.3.0+dfsg1-4ubuntu1) ... 320s Selecting previously unselected package liblammps0t64:amd64. 320s Preparing to unpack .../117-liblammps0t64_20240207+dfsg-3build3_amd64.deb ... 320s Unpacking liblammps0t64:amd64 (20240207+dfsg-3build3) ... 320s Selecting previously unselected package openmpi-common. 320s Preparing to unpack .../118-openmpi-common_5.0.7-1_all.deb ... 320s Unpacking openmpi-common (5.0.7-1) ... 320s Selecting previously unselected package libnl-3-dev:amd64. 320s Preparing to unpack .../119-libnl-3-dev_3.7.0-2_amd64.deb ... 320s Unpacking libnl-3-dev:amd64 (3.7.0-2) ... 320s Selecting previously unselected package libnl-route-3-dev:amd64. 320s Preparing to unpack .../120-libnl-route-3-dev_3.7.0-2_amd64.deb ... 320s Unpacking libnl-route-3-dev:amd64 (3.7.0-2) ... 320s Selecting previously unselected package libibverbs-dev:amd64. 320s Preparing to unpack .../121-libibverbs-dev_56.0-4ubuntu1_amd64.deb ... 320s Unpacking libibverbs-dev:amd64 (56.0-4ubuntu1) ... 320s Selecting previously unselected package libnuma-dev:amd64. 320s Preparing to 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(5.7.1-5build1) ... 322s Setting up libtheoradec1:amd64 (1.2.0~alpha1+dfsg-6) ... 322s Setting up libglew2.2:amd64 (2.2.0-4build1) ... 322s Setting up gcc-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 322s Setting up libucx0:amd64 (1.18.1+ds-2) ... 322s Setting up libgl2ps1.4 (1.4.2+dfsg1-2build1) ... 322s Setting up gcc-14 (14.2.0-19ubuntu2) ... 322s Setting up gfortran-14-x86-64-linux-gnu (14.2.0-19ubuntu2) ... 322s Setting up gfortran-14 (14.2.0-19ubuntu2) ... 322s Setting up libopenmpi40:amd64 (5.0.7-1) ... 322s Setting up libpnetcdf6:amd64 (1.14.0-2) ... 322s Setting up libvtk9.3:amd64 (9.3.0+dfsg1-4ubuntu1) ... 322s Setting up openmpi-bin (5.0.7-1) ... 322s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 322s update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist 322s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 322s Setting up mpi-default-bin (1.18) ... 322s Setting up liblammps0t64:amd64 (20240207+dfsg-3build3) ... 322s Setting up libopenmpi-dev:amd64 (5.0.7-1) ... 322s update-alternatives: using /usr/lib/x86_64-linux-gnu/openmpi/include to provide /usr/include/x86_64-linux-gnu/mpi (mpi-x86_64-linux-gnu) in auto mode 322s Setting up mpi-default-dev (1.18) ... 322s Setting up liblammps-dev (20240207+dfsg-3build3) ... 322s Setting up python3-lammps (20240207+dfsg-3build3) ... 322s Processing triggers for man-db (2.13.0-1) ... 323s Processing triggers for install-info (7.1.1-1) ... 323s Processing triggers for libc-bin (2.41-6ubuntu1) ... 370s autopkgtest [12:00:57]: test command1: cd python/examples; python3 demo.py 370s autopkgtest [12:00:57]: test command1: [----------------------- 370s LAMMPS (7 Feb 2024 - Update 1) 371s 371s Python output: 371s Natoms, mass, x[0][0] coord = 4000 1.0 16.767988851705528 371s Temperature from compute = 0.7571533403732014 371s Energy from equal-style variable = -5.758142569688168 371s Velocity component from atom-style variable = -1.0131655567386921 371s Volume from get_thermo = 4738.213693437576 371s Natoms from get_natoms = 4000 371s Global coords from gather_atoms = 16.767988851705528 16.621004261651628 0.14158807746974947 371s Changed x[0][0] via scatter_atoms = 17.767988851705528 371s OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) 371s using 1 OpenMP thread(s) per MPI task 371s Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962 371s Created orthogonal box = (0 0 0) to (16.795962 16.795962 16.795962) 371s 1 by 1 by 1 MPI processor grid 371s Created 4000 atoms 371s using lattice units in orthogonal box = (0 0 0) to (16.795962 16.795962 16.795962) 371s create_atoms CPU = 0.002 seconds 371s Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 371s Neighbor list info ... 371s update: every = 20 steps, delay = 0 steps, check = no 371s max neighbors/atom: 2000, page size: 100000 371s master list distance cutoff = 2.8 371s ghost atom cutoff = 2.8 371s binsize = 1.4, bins = 12 12 12 371s 1 neighbor lists, perpetual/occasional/extra = 1 0 0 371s (1) pair lj/cut, perpetual 371s attributes: half, newton on 371s pair build: half/bin/atomonly/newton 371s stencil: half/bin/3d 371s bin: standard 371s Setting up Verlet run ... 371s Unit style : lj 371s Current step : 0 371s Time step : 0.005 371s Per MPI rank memory allocation (min/avg/max) = 3.763 | 3.763 | 3.763 Mbytes 371s Step Temp E_pair E_mol TotEng Press 371s 0 1.44 -6.7733681 0 -4.6139081 -5.0199732 371s 100 0.75715334 -5.7581426 0 -4.6226965 0.20850222 371s Loop time of 0.299572 on 1 procs for 100 steps with 4000 atoms 371s 371s Performance: 144205.785 tau/day, 333.810 timesteps/s, 1.335 Matom-step/s 371s 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads 371s 371s MPI task timing breakdown: 371s Section | min time | avg time | max time |%varavg| %total 371s --------------------------------------------------------------- 371s Pair | 0.24636 | 0.24636 | 0.24636 | 0.0 | 82.24 371s Neigh | 0.038386 | 0.038386 | 0.038386 | 0.0 | 12.81 371s Comm | 0.0081394 | 0.0081394 | 0.0081394 | 0.0 | 2.72 371s Output | 7.1302e-05 | 7.1302e-05 | 7.1302e-05 | 0.0 | 0.02 371s Modify | 0.0054833 | 0.0054833 | 0.0054833 | 0.0 | 1.83 371s Other | | 0.001135 | | | 0.38 371s 371s Nlocal: 4000 ave 4000 max 4000 min 371s Histogram: 1 0 0 0 0 0 0 0 0 0 371s Nghost: 5754 ave 5754 max 5754 min 371s Histogram: 1 0 0 0 0 0 0 0 0 0 371s Neighs: 150362 ave 150362 max 150362 min 371s Histogram: 1 0 0 0 0 0 0 0 0 0 371s 371s Total # of neighbors = 150362 371s Ave neighs/atom = 37.5905 371s Neighbor list builds = 5 371s Dangerous builds not checked 371s Total wall time: 0:00:00 371s autopkgtest [12:00:58]: test command1: -----------------------] 372s command1 PASS 372s autopkgtest [12:00:59]: test command1: - - - - - - - - - - results - - - - - - - - - - 372s autopkgtest [12:00:59]: @@@@@@@@@@@@@@@@@@@@ summary 372s crack PASS 372s dipole PASS 372s ellipse PASS 372s flow PASS 372s friction PASS 372s hugo PASS 372s command1 PASS 390s nova [W] Skipping flock for amd64 390s Creating nova instance adt-questing-amd64-lammps-20250503-115447-juju-7f2275-prod-proposed-migration-environment-21-a4f6fbbf-f207-4108-982f-ea623be482ed from image adt/ubuntu-questing-amd64-server-20250503.img (UUID 57b7c1b6-ad80-4bdb-b031-36f045f7f3b3)... 390s nova [W] Timed out waiting for 30b70251-d0b1-4908-8dcb-122fe597ec25 to get deleted. 390s nova [W] Skipping flock for amd64 390s Creating nova instance adt-questing-amd64-lammps-20250503-115447-juju-7f2275-prod-proposed-migration-environment-21-a4f6fbbf-f207-4108-982f-ea623be482ed from image adt/ubuntu-questing-amd64-server-20250503.img (UUID 57b7c1b6-ad80-4bdb-b031-36f045f7f3b3)... 390s nova [W] Timed out waiting for 2d0b590a-7102-4b18-9437-57c2d0e32465 to get deleted.