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smoors/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1_partial.log

Created February 8, 2025 11:52
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(partial) EasyBuild log for failed build of /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb (PR(s) #22268) (easyblock PR(s) #3485)
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LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1_partial.log
== 2025-02-08 12:52:13,904 easyblock.py:314 INFO This is EasyBuild 4.9.5.dev0-rfcd111e06ce6d3eff3c1059cac99d2606fe1746e (framework: 4.9.5.dev0-rb37f70756960c1686875974f8381491df280cc00, easyblocks: 4.9.5.dev0-rfcd111e06ce6d3eff3c1059cac99d2606fe1746e) on host node401.hydra.os.
== 2025-02-08 12:52:13,905 easyblock.py:320 INFO This is easyblock EB_LAMMPS from module easybuild.easyblocks.lammps (/dev/shm/vsc10009/eb-gi0w6ht_/included-easyblocks-_libi2kf/easybuild/easyblocks/lammps.py)
== 2025-02-08 12:52:13,905 easyblock.py:1069 INFO Build dir set to /tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1
== 2025-02-08 12:52:13,905 config.py:707 DEBUG software install path as specified by 'installpath' and 'subdir_software': /tmp/vsc10009/ebinstall/22268/software
== 2025-02-08 12:52:13,905 easyconfig.py:2662 DEBUG Determining software installation subdir for LAMMPS EasyConfig @ /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb
== 2025-02-08 12:52:13,905 easyconfig.py:2665 DEBUG Using fixed naming software installation subdir: LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1
== 2025-02-08 12:52:13,905 easyblock.py:1126 INFO Software install dir set to /tmp/vsc10009/ebinstall/22268/software/LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1
== 2025-02-08 12:52:13,905 config.py:707 DEBUG modules install path as specified by 'installpath' and 'subdir_modules': /tmp/vsc10009/ebinstall/22268/modules
== 2025-02-08 12:52:13,905 easyblock.py:1131 INFO Module install dir set to /tmp/vsc10009/ebinstall/22268/modules/all
== 2025-02-08 12:52:13,905 easyblock.py:289 INFO Init completed for application name LAMMPS version 20241028
== 2025-02-08 12:52:13,906 easyconfig.py:1138 DEBUG Dependencies BEFORE filtering: [{'full_mod_name': 'CMake/3.26.3-GCCcore-12.3.0', 'short_mod_name': 'CMake/3.26.3-GCCcore-12.3.0', 'name': 'CMake', 'version': '3.26.3', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': True, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'pkgconf/1.9.5-GCCcore-12.3.0', 'short_mod_name': 'pkgconf/1.9.5-GCCcore-12.3.0', 'name': 'pkgconf', 'version': '1.9.5', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': True, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'archspec/0.2.5-GCCcore-12.3.0', 'short_mod_name': 'archspec/0.2.5-GCCcore-12.3.0', 'name': 'archspec', 'version': '0.2.5', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': True, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'CUDA/12.1.1', 'short_mod_name': 'CUDA/12.1.1', 'name': 'CUDA', 'version': '12.1.1', 'versionsuffix': '', 'toolchain': {'name': 'system', 'version': 'system'}, 'toolchain_inherited': False, 'system': True, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1', 'short_mod_name': 'UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1', 'name': 'UCX-CUDA', 'version': '1.14.1', 'versionsuffix': '-CUDA-12.1.1', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'NCCL/2.18.3-GCCcore-12.3.0-CUDA-12.1.1', 'short_mod_name': 'NCCL/2.18.3-GCCcore-12.3.0-CUDA-12.1.1', 'name': 'NCCL', 'version': '2.18.3', 'versionsuffix': '-CUDA-12.1.1', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'Python/3.11.3-GCCcore-12.3.0', 'short_mod_name': 'Python/3.11.3-GCCcore-12.3.0', 'name': 'Python', 'version': '3.11.3', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'libpng/1.6.39-GCCcore-12.3.0', 'short_mod_name': 'libpng/1.6.39-GCCcore-12.3.0', 'name': 'libpng', 'version': '1.6.39', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'libjpeg-turbo/2.1.5.1-GCCcore-12.3.0', 'short_mod_name': 'libjpeg-turbo/2.1.5.1-GCCcore-12.3.0', 'name': 'libjpeg-turbo', 'version': '2.1.5.1', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'netCDF/4.9.2-gompi-2023a', 'short_mod_name': 'netCDF/4.9.2-gompi-2023a', 'name': 'netCDF', 'version': '4.9.2', 'versionsuffix': '', 'toolchain': {'name': 'gompi', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'GSL/2.7-GCC-12.3.0', 'short_mod_name': 'GSL/2.7-GCC-12.3.0', 'name': 'GSL', 'version': '2.7', 'versionsuffix': '', 'toolchain': {'name': 'GCC', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'zlib/1.2.13-GCCcore-12.3.0', 'short_mod_name': 'zlib/1.2.13-GCCcore-12.3.0', 'name': 'zlib', 'version': '1.2.13', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'gzip/1.12-GCCcore-12.3.0', 'short_mod_name': 'gzip/1.12-GCCcore-12.3.0', 'name': 'gzip', 'version': '1.12', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'cURL/8.0.1-GCCcore-12.3.0', 'short_mod_name': 'cURL/8.0.1-GCCcore-12.3.0', 'name': 'cURL', 'version': '8.0.1', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'HDF5/1.14.0-gompi-2023a', 'short_mod_name': 'HDF5/1.14.0-gompi-2023a', 'name': 'HDF5', 'version': '1.14.0', 'versionsuffix': '', 'toolchain': {'name': 'gompi', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'PCRE/8.45-GCCcore-12.3.0', 'short_mod_name': 'PCRE/8.45-GCCcore-12.3.0', 'name': 'PCRE', 'version': '8.45', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'libxml2/2.11.4-GCCcore-12.3.0', 'short_mod_name': 'libxml2/2.11.4-GCCcore-12.3.0', 'name': 'libxml2', 'version': '2.11.4', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'FFmpeg/6.0-GCCcore-12.3.0', 'short_mod_name': 'FFmpeg/6.0-GCCcore-12.3.0', 'name': 'FFmpeg', 'version': '6.0', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'Voro++/0.4.6-GCCcore-12.3.0', 'short_mod_name': 'Voro++/0.4.6-GCCcore-12.3.0', 'name': 'Voro++', 'version': '0.4.6', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'kim-api/2.3.0-GCC-12.3.0', 'short_mod_name': 'kim-api/2.3.0-GCC-12.3.0', 'name': 'kim-api', 'version': '2.3.0', 'versionsuffix': '', 'toolchain': {'name': 'GCC', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'Eigen/3.4.0-GCCcore-12.3.0', 'short_mod_name': 'Eigen/3.4.0-GCCcore-12.3.0', 'name': 'Eigen', 'version': '3.4.0', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'PLUMED/2.9.0-foss-2023a', 'short_mod_name': 'PLUMED/2.9.0-foss-2023a', 'name': 'PLUMED', 'version': '2.9.0', 'versionsuffix': '', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'SciPy-bundle/2023.07-gfbf-2023a', 'short_mod_name': 'SciPy-bundle/2023.07-gfbf-2023a', 'name': 'SciPy-bundle', 'version': '2023.07', 'versionsuffix': '', 'toolchain': {'name': 'gfbf', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'VTK/9.3.0-foss-2023a', 'short_mod_name': 'VTK/9.3.0-foss-2023a', 'name': 'VTK', 'version': '9.3.0', 'versionsuffix': '', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'MDI/1.4.26-gompi-2023a', 'short_mod_name': 'MDI/1.4.26-gompi-2023a', 'name': 'MDI', 'version': '1.4.26', 'versionsuffix': '', 'toolchain': {'name': 'gompi', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'PyTorch/2.1.2-foss-2023a-CUDA-12.1.1', 'short_mod_name': 'PyTorch/2.1.2-foss-2023a-CUDA-12.1.1', 'name': 'PyTorch', 'version': '2.1.2', 'versionsuffix': '-CUDA-12.1.1', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'tbb/2021.11.0-GCCcore-12.3.0', 'short_mod_name': 'tbb/2021.11.0-GCCcore-12.3.0', 'name': 'tbb', 'version': '2021.11.0', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'ScaFaCoS/1.0.4-foss-2023a', 'short_mod_name': 'ScaFaCoS/1.0.4-foss-2023a', 'name': 'ScaFaCoS', 'version': '1.0.4', 'versionsuffix': '', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}]
== 2025-02-08 12:52:13,907 easyconfig.py:1141 DEBUG Dependencies AFTER filtering: [{'full_mod_name': 'CMake/3.26.3-GCCcore-12.3.0', 'short_mod_name': 'CMake/3.26.3-GCCcore-12.3.0', 'name': 'CMake', 'version': '3.26.3', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': True, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'pkgconf/1.9.5-GCCcore-12.3.0', 'short_mod_name': 'pkgconf/1.9.5-GCCcore-12.3.0', 'name': 'pkgconf', 'version': '1.9.5', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': True, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'archspec/0.2.5-GCCcore-12.3.0', 'short_mod_name': 'archspec/0.2.5-GCCcore-12.3.0', 'name': 'archspec', 'version': '0.2.5', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': True, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'CUDA/12.1.1', 'short_mod_name': 'CUDA/12.1.1', 'name': 'CUDA', 'version': '12.1.1', 'versionsuffix': '', 'toolchain': {'name': 'system', 'version': 'system'}, 'toolchain_inherited': False, 'system': True, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1', 'short_mod_name': 'UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1', 'name': 'UCX-CUDA', 'version': '1.14.1', 'versionsuffix': '-CUDA-12.1.1', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'NCCL/2.18.3-GCCcore-12.3.0-CUDA-12.1.1', 'short_mod_name': 'NCCL/2.18.3-GCCcore-12.3.0-CUDA-12.1.1', 'name': 'NCCL', 'version': '2.18.3', 'versionsuffix': '-CUDA-12.1.1', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'Python/3.11.3-GCCcore-12.3.0', 'short_mod_name': 'Python/3.11.3-GCCcore-12.3.0', 'name': 'Python', 'version': '3.11.3', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'libpng/1.6.39-GCCcore-12.3.0', 'short_mod_name': 'libpng/1.6.39-GCCcore-12.3.0', 'name': 'libpng', 'version': '1.6.39', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'libjpeg-turbo/2.1.5.1-GCCcore-12.3.0', 'short_mod_name': 'libjpeg-turbo/2.1.5.1-GCCcore-12.3.0', 'name': 'libjpeg-turbo', 'version': '2.1.5.1', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'netCDF/4.9.2-gompi-2023a', 'short_mod_name': 'netCDF/4.9.2-gompi-2023a', 'name': 'netCDF', 'version': '4.9.2', 'versionsuffix': '', 'toolchain': {'name': 'gompi', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'GSL/2.7-GCC-12.3.0', 'short_mod_name': 'GSL/2.7-GCC-12.3.0', 'name': 'GSL', 'version': '2.7', 'versionsuffix': '', 'toolchain': {'name': 'GCC', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'zlib/1.2.13-GCCcore-12.3.0', 'short_mod_name': 'zlib/1.2.13-GCCcore-12.3.0', 'name': 'zlib', 'version': '1.2.13', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'gzip/1.12-GCCcore-12.3.0', 'short_mod_name': 'gzip/1.12-GCCcore-12.3.0', 'name': 'gzip', 'version': '1.12', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'cURL/8.0.1-GCCcore-12.3.0', 'short_mod_name': 'cURL/8.0.1-GCCcore-12.3.0', 'name': 'cURL', 'version': '8.0.1', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'HDF5/1.14.0-gompi-2023a', 'short_mod_name': 'HDF5/1.14.0-gompi-2023a', 'name': 'HDF5', 'version': '1.14.0', 'versionsuffix': '', 'toolchain': {'name': 'gompi', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'PCRE/8.45-GCCcore-12.3.0', 'short_mod_name': 'PCRE/8.45-GCCcore-12.3.0', 'name': 'PCRE', 'version': '8.45', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'libxml2/2.11.4-GCCcore-12.3.0', 'short_mod_name': 'libxml2/2.11.4-GCCcore-12.3.0', 'name': 'libxml2', 'version': '2.11.4', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'FFmpeg/6.0-GCCcore-12.3.0', 'short_mod_name': 'FFmpeg/6.0-GCCcore-12.3.0', 'name': 'FFmpeg', 'version': '6.0', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'Voro++/0.4.6-GCCcore-12.3.0', 'short_mod_name': 'Voro++/0.4.6-GCCcore-12.3.0', 'name': 'Voro++', 'version': '0.4.6', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'kim-api/2.3.0-GCC-12.3.0', 'short_mod_name': 'kim-api/2.3.0-GCC-12.3.0', 'name': 'kim-api', 'version': '2.3.0', 'versionsuffix': '', 'toolchain': {'name': 'GCC', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'Eigen/3.4.0-GCCcore-12.3.0', 'short_mod_name': 'Eigen/3.4.0-GCCcore-12.3.0', 'name': 'Eigen', 'version': '3.4.0', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'PLUMED/2.9.0-foss-2023a', 'short_mod_name': 'PLUMED/2.9.0-foss-2023a', 'name': 'PLUMED', 'version': '2.9.0', 'versionsuffix': '', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'SciPy-bundle/2023.07-gfbf-2023a', 'short_mod_name': 'SciPy-bundle/2023.07-gfbf-2023a', 'name': 'SciPy-bundle', 'version': '2023.07', 'versionsuffix': '', 'toolchain': {'name': 'gfbf', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'VTK/9.3.0-foss-2023a', 'short_mod_name': 'VTK/9.3.0-foss-2023a', 'name': 'VTK', 'version': '9.3.0', 'versionsuffix': '', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'MDI/1.4.26-gompi-2023a', 'short_mod_name': 'MDI/1.4.26-gompi-2023a', 'name': 'MDI', 'version': '1.4.26', 'versionsuffix': '', 'toolchain': {'name': 'gompi', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'PyTorch/2.1.2-foss-2023a-CUDA-12.1.1', 'short_mod_name': 'PyTorch/2.1.2-foss-2023a-CUDA-12.1.1', 'name': 'PyTorch', 'version': '2.1.2', 'versionsuffix': '-CUDA-12.1.1', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'tbb/2021.11.0-GCCcore-12.3.0', 'short_mod_name': 'tbb/2021.11.0-GCCcore-12.3.0', 'name': 'tbb', 'version': '2021.11.0', 'versionsuffix': '', 'toolchain': {'name': 'GCCcore', 'version': '12.3.0'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}, {'full_mod_name': 'ScaFaCoS/1.0.4-foss-2023a', 'short_mod_name': 'ScaFaCoS/1.0.4-foss-2023a', 'name': 'ScaFaCoS', 'version': '1.0.4', 'versionsuffix': '', 'toolchain': {'name': 'foss', 'version': '2023a'}, 'toolchain_inherited': False, 'system': False, 'hidden': False, 'build_only': False, 'external_module': False, 'external_module_metadata': {}}]
== 2025-02-08 12:52:13,907 easyblock.py:4248 INFO Obtained application instance of for LAMMPS (easyblock: None)
== 2025-02-08 12:52:13,907 easyblock.py:4261 DEBUG Skip set to False
== 2025-02-08 12:52:13,907 easyconfig.py:1705 INFO Generating template values...
== 2025-02-08 12:52:13,907 templates.py:208 DEBUG config: LAMMPS EasyConfig @ /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb
== 2025-02-08 12:52:13,907 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:13,908 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:13,908 templates.py:346 DEBUG name: bitbucket_account, config: %(namelower)s
== 2025-02-08 12:52:13,908 templates.py:346 DEBUG name: github_account, config: %(namelower)s
== 2025-02-08 12:52:13,908 templates.py:346 DEBUG name: name, config: LAMMPS
== 2025-02-08 12:52:13,908 templates.py:346 DEBUG name: parallel, config: None
== 2025-02-08 12:52:13,908 templates.py:346 DEBUG name: version, config: 20241028
== 2025-02-08 12:52:13,908 templates.py:346 DEBUG name: versionsuffix, config: -kokkos-mace-CUDA-%(cudaver)s
== 2025-02-08 12:52:13,908 templates.py:346 DEBUG name: versionprefix, config:
== 2025-02-08 12:52:13,908 mpi.py:122 INFO Using template MPI command 'mpirun -n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2025-02-08 12:52:13,908 mpi.py:307 INFO Using MPI command template 'mpirun -n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2025-02-08 12:52:13,909 easyconfig.py:1724 INFO Template values: arch='x86_64', bitbucket_account='lammps', cuda_cc_cmake='80', cuda_cc_semicolon_sep='8.0', cuda_cc_space_sep='8.0', cuda_cc_space_sep_no_period='80', cuda_compute_capabilities='8.0', cuda_sm_comma_sep='sm_80', cuda_sm_space_sep='sm_80', cudamajver='12', cudaminver='1', cudashortver='12.1', cudaver='12.1.1', github_account='lammps', module_name='LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', mpi_cmd_prefix='mpirun -n 1', name='LAMMPS', nameletter='L', nameletterlower='l', namelower='lammps', pymajver='3', pyminver='11', pyshortver='3.11', pyver='3.11.3', rpath_enabled='false', software_commit='', sysroot='', toolchain_name='foss', toolchain_version='2023a', version='20241028', version_major='20241028', versionprefix='', versionsuffix='-kokkos-mace-CUDA-12.1.1'
== 2025-02-08 12:52:13,909 one.py:150 DEBUG Not copying '__builtins__' variable from parsed easyconfig
== 2025-02-08 12:52:13,911 one.py:529 DEBUG Extracted comments:
{'above': {'configopts': ['# Excluded packages due to requiring additional (non-trivial) deps',
'# - ADIOS',
'# - LATTE',
'# - MESONT (requires very large files downloaded during build)',
'# - ML-HDNNP (requires N2P2)',
'# - ML-QUIP',
'# - MSCG',
'# - QMMM (setup seems complex)',
'',
'# hardware-specific option',
'# note: only the highest capability will be used',
"# cuda_compute_capabilities = ['9.0']",
''],
'general_packages': ["# To use additional custom configuration options, use the 'configopts' easyconfig "
'parameter',
'# See docs and lammps easyblock for more information.',
'# '
'https://github.com/lammps/lammps/blob/master/cmake/README.md#lammps-configuration-options',
'',
'# OpenMP-Kokkos build is default in the current easyblock. One can switch to serial '
'backend of Kokkos,',
'# which is claimed to be faster in pure MPI calculations',
'# configopts = "-DKokkos_ENABLE_SERIAL=yes "',
'',
'# packages auto-enabled by easyblock',
"# 'GPU' - if cuda package is present and kokkos is disabled",
"# 'KOKKOS' - if kokkos is enabled (by default)",
"# 'INTEL' - if builing on Intel CPU",
"# 'OPENMP' - if OpenMP swithed on in 'toolchainopts'",
'',
'# include the following extra packages into the build']},
'header': [],
'inline': {},
'iterabove': {'dependencies': {" ('MDI', '1.4.26'),": ['# We use a custom build of MDI'],
" ('VTK', '9.3.0'),": ['# VTK package is auto-disabled if this dep is not '
'available'],
' dependencies += [': ['# TBB and ScaFaCos are an optional dependency when building '
'on Intel arch']},
'general_packages': {" 'MANIFOLD',": ['# installation fails with MACHDYN on zen2', "# 'MACHDYN',"]}},
'iterinline': {},
'tail': []}
== 2025-02-08 12:52:13,911 one.py:180 INFO Skipping reformatting value for parameter 'toolchain'
== 2025-02-08 12:52:13,911 one.py:180 INFO Skipping reformatting value for parameter 'toolchainopts'
== 2025-02-08 12:52:13,913 easyconfig.py:1268 DEBUG Dumped easyconfig: name = 'LAMMPS'
version = '20241028'
versionsuffix = '-kokkos-mace-CUDA-%(cudaver)s'
homepage = 'https://mace-docs.readthedocs.io/en/latest/guide/lammps.html'
description = "ACEsuit fork of LAMMPS for using MACE in LAMMPS"
toolchain = {'name': 'foss', 'version': '2023a'}
toolchainopts = {'usempi': True}
sources = [
{'source_urls': ['https://github.com/ACEsuit/%(namelower)s/archive'], 'download_filename': 'f51963a.tar.gz', 'filename': SOURCE_TAR_GZ},
]
patches = ['%(name)s-2Aug2023_install_lammps_python_package_in_eb_software_module.patch']
checksums = [
{'%(name)s-28Oct2024.tar.gz': '43d1432782806ddae40a9f8fd3a7c7c0dc2fad0c74c440e1b189f42b33da2777'},
{'%(name)s-2Aug2023_install_lammps_python_package_in_eb_software_module.patch': '723c944b62b9d28427d25e80a7a67049631702d344df49268a6846aa0cd0fe04'},
]
builddependencies = [
('CMake', '3.26.3', '', ('GCCcore', '12.3.0')),
('pkgconf', '1.9.5', '', ('GCCcore', '12.3.0')),
('archspec', '0.2.5', '', ('GCCcore', '12.3.0')),
]
dependencies = [
('CUDA', '12.1.1', '', SYSTEM),
('UCX-CUDA', '1.14.1', '-CUDA-%(cudaver)s', ('GCCcore', '12.3.0')),
('NCCL', '2.18.3', '-CUDA-%(cudaver)s', ('GCCcore', '12.3.0')),
('Python', '3.11.3', '', ('GCCcore', '12.3.0')),
('libpng', '1.6.39', '', ('GCCcore', '12.3.0')),
('libjpeg-turbo', '2.1.5.1', '', ('GCCcore', '12.3.0')),
('netCDF', '4.9.2', '', ('gompi', '2023a')),
('GSL', '2.7', '', ('GCC', '12.3.0')),
('zlib', '1.2.13', '', ('GCCcore', '12.3.0')),
('gzip', '1.12', '', ('GCCcore', '12.3.0')),
('cURL', '8.0.1', '', ('GCCcore', '12.3.0')),
('HDF5', '1.14.0', '', ('gompi', '2023a')),
('PCRE', '8.45', '', ('GCCcore', '12.3.0')),
('libxml2', '2.11.4', '', ('GCCcore', '12.3.0')),
('FFmpeg', '6.0', '', ('GCCcore', '12.3.0')),
('Voro++', '0.4.6', '', ('GCCcore', '12.3.0')),
('kim-api', '2.3.0', '', ('GCC', '12.3.0')),
('Eigen', '3.4.0', '', ('GCCcore', '12.3.0')),
('PLUMED', '2.9.0'),
('SciPy-bundle', '2023.07', '', ('gfbf', '2023a')),
# VTK package is auto-disabled if this dep is not available
('VTK', '9.3.0'),
('MDI', '1.4.26', '', ('gompi', '2023a')),
('PyTorch', '2.1.2', '-CUDA-%(cudaver)s'),
('tbb', '2021.11.0', '', ('GCCcore', '12.3.0')),
('ScaFaCoS', '1.0.4'),
]
# Excluded packages due to requiring additional (non-trivial) deps
# - ADIOS
# - LATTE
# - MESONT (requires very large files downloaded during build)
# - ML-HDNNP (requires N2P2)
# - ML-QUIP
# - MSCG
# - QMMM (setup seems complex)
# hardware-specific option
# note: only the highest capability will be used
# cuda_compute_capabilities = ['9.0']
configopts = "-D CMAKE_CXX_STANDARD=17 -D CMAKE_CXX_STANDARD_REQUIRED=ON -D CMAKE_CXX_COMPILER=%(start_dir)s/lib/kokkos/bin/nvcc_wrapper -D CMAKE_PREFIX_PATH=$EBROOTPYTORCH/lib/python%(pyshortver)s/site-packages/torch"
# To use additional custom configuration options, use the 'configopts' easyconfig parameter
# See docs and lammps easyblock for more information.
# https://github.com/lammps/lammps/blob/master/cmake/README.md#lammps-configuration-options
# OpenMP-Kokkos build is default in the current easyblock. One can switch to serial backend of Kokkos,
# which is claimed to be faster in pure MPI calculations
# configopts = "-DKokkos_ENABLE_SERIAL=yes "
# packages auto-enabled by easyblock
# 'GPU' - if cuda package is present and kokkos is disabled
# 'KOKKOS' - if kokkos is enabled (by default)
# 'INTEL' - if builing on Intel CPU
# 'OPENMP' - if OpenMP swithed on in 'toolchainopts'
# include the following extra packages into the build
general_packages = [
'AMOEBA',
'ASPHERE',
'ATC',
'AWPMD',
'BOCS',
'BODY',
'BPM',
'BROWNIAN',
'CG-DNA',
'CG-SPICA',
'CLASS2',
'COLLOID',
'COLVARS',
'COMPRESS',
'CORESHELL',
'DIELECTRIC',
'DIFFRACTION',
'DIPOLE',
'DPD-BASIC',
'DPD-MESO',
'DPD-REACT',
'DPD-SMOOTH',
'DRUDE',
'EFF',
'ELECTRODE',
'EXTRA-COMPUTE',
'EXTRA-DUMP',
'EXTRA-FIX',
'EXTRA-MOLECULE',
'EXTRA-PAIR',
'FEP',
'GRANULAR',
'H5MD',
'INTERLAYER',
'KIM',
'KSPACE',
'LATBOLTZ',
'LEPTON',
# installation fails with MACHDYN on zen2
# 'MACHDYN',
'MANIFOLD',
'MANYBODY',
'MC',
'MDI',
'MEAM',
'MGPT',
'MISC',
'ML-IAP',
'ML-PACE',
'ML-POD',
'ML-RANN',
'ML-SNAP',
'ML-MACE',
'MOFFF',
'MOLECULE',
'MOLFILE',
'MPIIO',
'NETCDF',
'OPT',
'ORIENT',
'PERI',
'PHONON',
'PLUGIN',
'PLUMED',
'POEMS',
'PTM',
'PYTHON',
'QEQ',
'QTB',
'REACTION',
'REAXFF',
'REPLICA',
'RIGID',
'SCAFACOS',
'SHOCK',
'SMTBQ',
'SPH',
'SPIN',
'SRD',
'TALLY',
'UEF',
'VORONOI',
'VTK',
'YAFF',
]
moduleclass = 'chem'
== 2025-02-08 12:52:13,913 filetools.py:1924 INFO Creating directory /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328 (parents: True, set_gid: False, sticky: False)
== 2025-02-08 12:52:13,927 easyblock.py:4504 INFO Dumped easyconfig instance to /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb
== 2025-02-08 12:52:13,927 filetools.py:1924 INFO Creating directory /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks (parents: True, set_gid: False, sticky: False)
== 2025-02-08 12:52:13,928 filetools.py:2445 INFO /dev/shm/vsc10009/eb-gi0w6ht_/included-easyblocks-_libi2kf/easybuild/easyblocks/lammps.py copied to /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks/lammps.py
== 2025-02-08 12:52:13,928 easyblock.py:4484 INFO Dumped easyblock lammps.py required for reproduction to /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks
== 2025-02-08 12:52:13,928 filetools.py:1943 DEBUG Not creating existing path /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks
== 2025-02-08 12:52:13,931 filetools.py:2445 INFO /scratch/brussel/100/vsc10009/easybuild-easyblocks/easybuild/easyblocks/generic/cmakemake.py copied to /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks/cmakemake.py
== 2025-02-08 12:52:13,931 easyblock.py:4484 INFO Dumped easyblock cmakemake.py required for reproduction to /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks
== 2025-02-08 12:52:13,931 filetools.py:1943 DEBUG Not creating existing path /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks
== 2025-02-08 12:52:13,932 filetools.py:2445 INFO /scratch/brussel/100/vsc10009/easybuild-easyblocks/easybuild/easyblocks/generic/configuremake.py copied to /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks/configuremake.py
== 2025-02-08 12:52:13,932 easyblock.py:4484 INFO Dumped easyblock configuremake.py required for reproduction to /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/reprod_20250208125213_347328/easyblocks
== 2025-02-08 12:52:13,933 easyblock.py:2249 INFO Number of iterations to perform for central part of installation procedure: 1
== 2025-02-08 12:52:13,933 build_log.py:267 INFO building and installing LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1...
== 2025-02-08 12:52:13,937 config.py:707 DEBUG software install path as specified by 'installpath' and 'subdir_software': /tmp/vsc10009/ebinstall/22268/software
== 2025-02-08 12:52:13,937 filetools.py:2017 INFO Lock /tmp/vsc10009/ebinstall/22268/software/.locks/_tmp_vsc10009_ebinstall_22268_software_LAMMPS_20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.lock does not exist
== 2025-02-08 12:52:13,937 config.py:707 DEBUG software install path as specified by 'installpath' and 'subdir_software': /tmp/vsc10009/ebinstall/22268/software
== 2025-02-08 12:52:13,937 filetools.py:1958 INFO Creating lock at /tmp/vsc10009/ebinstall/22268/software/.locks/_tmp_vsc10009_ebinstall_22268_software_LAMMPS_20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.lock...
== 2025-02-08 12:52:13,937 filetools.py:1924 INFO Creating directory /tmp/vsc10009/ebinstall/22268/software/.locks/_tmp_vsc10009_ebinstall_22268_software_LAMMPS_20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.lock (parents: True, set_gid: False, sticky: False)
== 2025-02-08 12:52:13,937 filetools.py:1967 INFO Lock created: /tmp/vsc10009/ebinstall/22268/software/.locks/_tmp_vsc10009_ebinstall_22268_software_LAMMPS_20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.lock
== 2025-02-08 12:52:13,938 easyblock.py:3962 DEBUG Not skipping fetch step (skippable: False, skip: None, skipsteps: [], module_only: False, force: True, sanity_check_only: False, skip_extensions: False, skip_test_step: False, skip_sanity_check: False)
== 2025-02-08 12:52:13,938 build_log.py:267 INFO fetching files...
== 2025-02-08 12:52:13,939 easyblock.py:3970 INFO Starting fetch step
== 2025-02-08 12:52:13,940 easyconfig.py:1705 INFO Generating template values...
== 2025-02-08 12:52:13,940 templates.py:208 DEBUG config: LAMMPS EasyConfig @ /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb
== 2025-02-08 12:52:13,940 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:13,940 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:13,940 templates.py:346 DEBUG name: bitbucket_account, config: %(namelower)s
== 2025-02-08 12:52:13,940 templates.py:346 DEBUG name: github_account, config: %(namelower)s
== 2025-02-08 12:52:13,940 templates.py:346 DEBUG name: name, config: LAMMPS
== 2025-02-08 12:52:13,940 templates.py:346 DEBUG name: parallel, config: None
== 2025-02-08 12:52:13,940 templates.py:346 DEBUG name: version, config: 20241028
== 2025-02-08 12:52:13,940 templates.py:346 DEBUG name: versionsuffix, config: -kokkos-mace-CUDA-%(cudaver)s
== 2025-02-08 12:52:13,940 templates.py:346 DEBUG name: versionprefix, config:
== 2025-02-08 12:52:13,941 mpi.py:122 INFO Using template MPI command 'mpirun -n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2025-02-08 12:52:13,941 mpi.py:307 INFO Using MPI command template 'mpirun -n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2025-02-08 12:52:13,941 easyconfig.py:1724 INFO Template values: arch='x86_64', bitbucket_account='lammps', builddir='/tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1', cuda_cc_cmake='80', cuda_cc_semicolon_sep='8.0', cuda_cc_space_sep='8.0', cuda_cc_space_sep_no_period='80', cuda_compute_capabilities='8.0', cuda_sm_comma_sep='sm_80', cuda_sm_space_sep='sm_80', cudamajver='12', cudaminver='1', cudashortver='12.1', cudaver='12.1.1', github_account='lammps', installdir='/tmp/vsc10009/ebinstall/22268/software/LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', module_name='LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', mpi_cmd_prefix='mpirun -n 1', name='LAMMPS', nameletter='L', nameletterlower='l', namelower='lammps', pymajver='3', pyminver='11', pyshortver='3.11', pyver='3.11.3', rpath_enabled='false', software_commit='', start_dir='None', sysroot='', toolchain_name='foss', toolchain_version='2023a', version='20241028', version_major='20241028', versionprefix='', versionsuffix='-kokkos-mace-CUDA-12.1.1'
== 2025-02-08 12:52:13,941 easyblock.py:3978 INFO Running method fetch_step part of step fetch
== 2025-02-08 12:52:13,941 easyblock.py:2371 WARNING Easyconfig does not specify an EasyBuild-version (key 'easybuild_version')! Assuming the latest version
== 2025-02-08 12:52:13,941 easyblock.py:821 INFO Considering directory in which easyconfig file is located when searching for LAMMPS-20241028.tar.gz: /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS
== 2025-02-08 12:52:13,941 tools.py:282 INFO Found location to 'eb' script via $EB_SCRIPT_PATH: /scratch/brussel/100/vsc10009/easybuild-framework/eb
== 2025-02-08 12:52:13,942 tools.py:298 INFO Not considering /scratch/brussel/100/vsc10009 (no easybuild/easyconfigs subdir found)
== 2025-02-08 12:52:13,942 tools.py:306 INFO Also considering installation prefix /rhea/scratch/brussel/100/vsc10009 (via resolved path to 'eb')...
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-easyconfigs/easybuild/easyconfigs/easybuild/easyconfigs
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/easybuild/easyconfigs
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /dev/shm/vsc10009/eb-gi0w6ht_/fake_vsc_gbn_gei5/easybuild/easyconfigs
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /dev/shm/vsc10009/eb-gi0w6ht_/included-easyblocks-_libi2kf/easybuild/easyconfigs
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at easybuild/easyconfigs
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /user/brussel/100/vsc10009/.local/lib/python3.6/site-packages/git/ext/gitdb/easybuild/easyconfigs
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-framework/easybuild/easyconfigs
== 2025-02-08 12:52:13,942 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-easyblocks/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-easyconfigs/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:315 DEBUG Added /scratch/brussel/100/vsc10009/easybuild-easyconfigs/easybuild/easyconfigs to list of paths for easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python36.zip/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python3.6/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python3.6/lib-dynload/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /user/brussel/100/vsc10009/.local/lib/python3.6/site-packages/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /vscmnt/brussel_pixiu_data/_data_brussel/100/vsc10009/build_tools/build_tools/src/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python3.6/site-packages/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib/python3.6/site-packages/easybuild/easyconfigs
== 2025-02-08 12:52:13,943 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /user/brussel/100/vsc10009/.local/lib/python3.6/site-packages/gitdb/ext/smmap/easybuild/easyconfigs
== 2025-02-08 12:52:13,944 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /rhea/scratch/brussel/100/vsc10009/easybuild/easyconfigs
== 2025-02-08 12:52:13,989 filetools.py:1943 DEBUG Not creating existing path /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS
== 2025-02-08 12:52:13,989 easyblock.py:951 DEBUG Trying to download file LAMMPS-20241028.tar.gz from https://github.com/ACEsuit/lammps/archive/f51963a.tar.gz to /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz ...
== 2025-02-08 12:52:13,989 filetools.py:754 DEBUG Trying to download LAMMPS-20241028.tar.gz from https://github.com/ACEsuit/lammps/archive/f51963a.tar.gz to /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz
== 2025-02-08 12:52:13,989 filetools.py:757 DEBUG Using timeout of 10 seconds for initiating download
== 2025-02-08 12:52:13,989 filetools.py:1943 DEBUG Not creating existing path /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS
== 2025-02-08 12:52:14,703 filetools.py:817 DEBUG HTTP response code for given url https://github.com/ACEsuit/lammps/archive/f51963a.tar.gz: 200
== 2025-02-08 12:52:14,703 filetools.py:818 INFO File size for https://github.com/ACEsuit/lammps/archive/f51963a.tar.gz: None
== 2025-02-08 12:52:14,703 filetools.py:1943 DEBUG Not creating existing path /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS
== 2025-02-08 12:52:30,981 filetools.py:825 INFO Downloaded file LAMMPS-20241028.tar.gz from url https://github.com/ACEsuit/lammps/archive/f51963a.tar.gz to /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz
== 2025-02-08 12:52:30,981 filetools.py:857 INFO Successful download of file LAMMPS-20241028.tar.gz from url https://github.com/ACEsuit/lammps/archive/f51963a.tar.gz to path /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz
== 2025-02-08 12:52:30,984 easyblock.py:964 INFO Successfully downloaded source file LAMMPS-20241028.tar.gz from https://github.com/ACEsuit/lammps/archive/f51963a.tar.gz
== 2025-02-08 12:52:30,984 easyblock.py:456 DEBUG File /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz found for source LAMMPS-20241028.tar.gz
== 2025-02-08 12:52:30,984 easyblock.py:500 INFO Added sources: [{'name': 'LAMMPS-20241028.tar.gz', 'path': '/scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz', 'cmd': None, 'checksum': {'LAMMPS-28Oct2024.tar.gz': '43d1432782806ddae40a9f8fd3a7c7c0dc2fad0c74c440e1b189f42b33da2777'}, 'finalpath': '/tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1'}]
== 2025-02-08 12:52:30,984 easyblock.py:821 INFO Considering directory in which easyconfig file is located when searching for LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch: /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS
== 2025-02-08 12:52:30,984 tools.py:282 INFO Found location to 'eb' script via $EB_SCRIPT_PATH: /scratch/brussel/100/vsc10009/easybuild-framework/eb
== 2025-02-08 12:52:30,984 tools.py:298 INFO Not considering /scratch/brussel/100/vsc10009 (no easybuild/easyconfigs subdir found)
== 2025-02-08 12:52:30,985 tools.py:306 INFO Also considering installation prefix /rhea/scratch/brussel/100/vsc10009 (via resolved path to 'eb')...
== 2025-02-08 12:52:30,985 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-easyconfigs/easybuild/easyconfigs/easybuild/easyconfigs
== 2025-02-08 12:52:30,985 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/easybuild/easyconfigs
== 2025-02-08 12:52:30,985 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /dev/shm/vsc10009/eb-gi0w6ht_/fake_vsc_gbn_gei5/easybuild/easyconfigs
== 2025-02-08 12:52:30,985 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /dev/shm/vsc10009/eb-gi0w6ht_/included-easyblocks-_libi2kf/easybuild/easyconfigs
== 2025-02-08 12:52:30,985 tools.py:311 DEBUG Checking for easybuild/easyconfigs at easybuild/easyconfigs
== 2025-02-08 12:52:30,985 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /user/brussel/100/vsc10009/.local/lib/python3.6/site-packages/git/ext/gitdb/easybuild/easyconfigs
== 2025-02-08 12:52:30,987 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-framework/easybuild/easyconfigs
== 2025-02-08 12:52:30,987 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-easyblocks/easybuild/easyconfigs
== 2025-02-08 12:52:30,987 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /scratch/brussel/100/vsc10009/easybuild-easyconfigs/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:315 DEBUG Added /scratch/brussel/100/vsc10009/easybuild-easyconfigs/easybuild/easyconfigs to list of paths for easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python36.zip/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python3.6/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python3.6/lib-dynload/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /user/brussel/100/vsc10009/.local/lib/python3.6/site-packages/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /vscmnt/brussel_pixiu_data/_data_brussel/100/vsc10009/build_tools/build_tools/src/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib64/python3.6/site-packages/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /usr/lib/python3.6/site-packages/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /user/brussel/100/vsc10009/.local/lib/python3.6/site-packages/gitdb/ext/smmap/easybuild/easyconfigs
== 2025-02-08 12:52:30,988 tools.py:311 DEBUG Checking for easybuild/easyconfigs at /rhea/scratch/brussel/100/vsc10009/easybuild/easyconfigs
== 2025-02-08 12:52:30,989 easyblock.py:862 INFO Found file LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch at /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch
== 2025-02-08 12:52:30,989 easyblock.py:524 DEBUG File /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch found for patch LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch
== 2025-02-08 12:52:30,989 easyblock.py:539 INFO Added patches: [{'name': 'LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch', 'postinstall': False, 'path': '/dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch', 'checksum': {'LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch': '723c944b62b9d28427d25e80a7a67049631702d344df49268a6846aa0cd0fe04'}}]
== 2025-02-08 12:52:30,989 filetools.py:1235 DEBUG Using blocksize 16777216 for calculating the checksum
== 2025-02-08 12:52:31,244 easyblock.py:2424 INFO md5 checksum for /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz: 973fbd0757274599a66cd0555035fec0
== 2025-02-08 12:52:31,244 filetools.py:1235 DEBUG Using blocksize 16777216 for calculating the checksum
== 2025-02-08 12:52:31,358 easyblock.py:2424 INFO sha256 checksum for /scratch/brussel/vo/000/bvo00005/vsc10009/sources/l/LAMMPS/LAMMPS-20241028.tar.gz: 43d1432782806ddae40a9f8fd3a7c7c0dc2fad0c74c440e1b189f42b33da2777
== 2025-02-08 12:52:31,359 filetools.py:1235 DEBUG Using blocksize 16777216 for calculating the checksum
== 2025-02-08 12:52:31,359 easyblock.py:2424 INFO md5 checksum for /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch: ba84310f3cbea50df7c7568c35e85211
== 2025-02-08 12:52:31,359 filetools.py:1235 DEBUG Using blocksize 16777216 for calculating the checksum
== 2025-02-08 12:52:31,359 easyblock.py:2424 INFO sha256 checksum for /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-2Aug2023_install_lammps_python_package_in_eb_software_module.patch: 723c944b62b9d28427d25e80a7a67049631702d344df49268a6846aa0cd0fe04
== 2025-02-08 12:52:31,368 easyconfig.py:2649 DEBUG Determining full module name for LAMMPS EasyConfig @ /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb (force_visible: False)
== 2025-02-08 12:52:31,368 easyconfig.py:2626 DEBUG No alternative software name specified to determine module name with
== 2025-02-08 12:52:31,368 utilities.py:115 DEBUG Module name LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1 validated
== 2025-02-08 12:52:31,369 easyconfig.py:2657 DEBUG Obtained valid full module name LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1
== 2025-02-08 12:52:31,369 config.py:707 DEBUG modules install path as specified by 'installpath' and 'subdir_modules': /tmp/vsc10009/ebinstall/22268/modules
== 2025-02-08 12:52:31,369 easyblock.py:2459 INFO Checking dirs that need to be created: ['/tmp/vsc10009/ebinstall/22268/software/LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', '/tmp/vsc10009/ebinstall/22268/modules/all/LAMMPS', '/tmp/vsc10009/ebinstall/22268/modules/chem/LAMMPS']
== 2025-02-08 12:52:31,369 filetools.py:1924 INFO Creating directory /tmp/vsc10009/ebinstall/22268/software/LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1 (parents: True, set_gid: False, sticky: False)
== 2025-02-08 12:52:31,369 filetools.py:1924 INFO Creating directory /tmp/vsc10009/ebinstall/22268/modules/all/LAMMPS (parents: True, set_gid: False, sticky: False)
== 2025-02-08 12:52:31,369 filetools.py:1924 INFO Creating directory /tmp/vsc10009/ebinstall/22268/modules/chem/LAMMPS (parents: True, set_gid: False, sticky: False)
== 2025-02-08 12:52:31,375 filetools.py:1235 DEBUG Using blocksize 16777216 for calculating the checksum
== 2025-02-08 12:52:31,375 configuremake.py:96 INFO config.guess version: 2018-08-29 (last updated: 2025-01-27T20:39:47.348592, SHA256 checksum: c02eb9cc55c86cfd1e9a794e548d25db5c9539e7b2154beb649bc6e2cbffc74c)
== 2025-02-08 12:52:31,375 configuremake.py:151 INFO Found config.guess at /scratch/brussel/vo/000/bvo00005/vsc10009/sources/generic/eb_v4.9.5.dev0/ConfigureMake/config.guess
== 2025-02-08 12:52:31,375 build_log.py:267 INFO ... (took 17 secs)
== 2025-02-08 12:52:31,377 easyblock.py:3962 DEBUG Not skipping ready step (skippable: False, skip: None, skipsteps: [], module_only: False, force: True, sanity_check_only: False, skip_extensions: False, skip_test_step: False, skip_sanity_check: False)
== 2025-02-08 12:52:31,377 build_log.py:267 INFO creating build dir, resetting environment...
== 2025-02-08 12:52:31,379 easyblock.py:3970 INFO Starting ready step
== 2025-02-08 12:52:31,379 easyconfig.py:1705 INFO Generating template values...
== 2025-02-08 12:52:31,379 templates.py:208 DEBUG config: LAMMPS EasyConfig @ /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb
== 2025-02-08 12:52:31,380 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:31,380 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:31,380 templates.py:346 DEBUG name: bitbucket_account, config: %(namelower)s
== 2025-02-08 12:52:31,380 templates.py:346 DEBUG name: github_account, config: %(namelower)s
== 2025-02-08 12:52:31,380 templates.py:346 DEBUG name: name, config: LAMMPS
== 2025-02-08 12:52:31,380 templates.py:346 DEBUG name: parallel, config: None
== 2025-02-08 12:52:31,380 templates.py:346 DEBUG name: version, config: 20241028
== 2025-02-08 12:52:31,380 templates.py:346 DEBUG name: versionsuffix, config: -kokkos-mace-CUDA-%(cudaver)s
== 2025-02-08 12:52:31,380 templates.py:346 DEBUG name: versionprefix, config:
== 2025-02-08 12:52:31,380 mpi.py:122 INFO Using template MPI command 'mpirun -n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2025-02-08 12:52:31,380 mpi.py:307 INFO Using MPI command template 'mpirun -n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2025-02-08 12:52:31,381 easyconfig.py:1724 INFO Template values: arch='x86_64', bitbucket_account='lammps', builddir='/tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1', cuda_cc_cmake='80', cuda_cc_semicolon_sep='8.0', cuda_cc_space_sep='8.0', cuda_cc_space_sep_no_period='80', cuda_compute_capabilities='8.0', cuda_sm_comma_sep='sm_80', cuda_sm_space_sep='sm_80', cudamajver='12', cudaminver='1', cudashortver='12.1', cudaver='12.1.1', github_account='lammps', installdir='/tmp/vsc10009/ebinstall/22268/software/LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', module_name='LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', mpi_cmd_prefix='mpirun -n 1', name='LAMMPS', nameletter='L', nameletterlower='l', namelower='lammps', pymajver='3', pyminver='11', pyshortver='3.11', pyver='3.11.3', rpath_enabled='false', software_commit='', start_dir='None', sysroot='', toolchain_name='foss', toolchain_version='2023a', version='20241028', version_major='20241028', versionprefix='', versionsuffix='-kokkos-mace-CUDA-12.1.1'
== 2025-02-08 12:52:31,381 easyblock.py:3978 INFO Running method check_readiness_step part of step ready
== 2025-02-08 12:52:31,381 easyblock.py:2259 DEBUG Desired parallelism specified via 'parallel' build option: None
== 2025-02-08 12:52:31,387 systemtools.py:248 DEBUG sched_getaffinity for pid 347328 successful
== 2025-02-08 12:52:31,387 run.py:222 DEBUG run_cmd: running cmd ulimit -u (in /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268)
== 2025-02-08 12:52:31,387 run.py:251 INFO Using /bin/bash as shell for running cmd: ulimit -u
== 2025-02-08 12:52:31,387 run.py:260 INFO running cmd: ulimit -u
== 2025-02-08 12:52:31,399 run.py:702 DEBUG cmd "ulimit -u" exited with exit code 0 and output:
1029964
== 2025-02-08 12:52:31,399 run.py:738 DEBUG Using default regular expression: (?<![(,-]|\w)(?:error|segmentation fault|failed)(?![(,-]|\.?\w)
== 2025-02-08 12:52:31,400 easyblock.py:2268 INFO Setting parallelism: 8
== 2025-02-08 12:52:31,400 modules.py:814 DEBUG Current MODULEPATH: /tmp/vsc10009/ebinstall/22268/modules/all:/apps/brussel/RL8/zen2-ib/modules/2024a/all:/apps/brussel/RL8/zen2-ib/modules/2023a/all:/apps/brussel/RL8/zen2-ib/modules/2022a/all:/apps/brussel/RL8/zen2-ib/modules/system/all:/etc/modulefiles/vsc
== 2025-02-08 12:52:31,401 modules.py:828 DEBUG Running module command '/usr/share/lmod/lmod/libexec/lmod python --terse list' from /rhea/scratch/brussel/vo/000/bvo00005/vsc10009/easynew/lammps-mace/22268
== 2025-02-08 12:52:31,445 modules.py:835 DEBUG Output of module command '/usr/share/lmod/lmod/libexec/lmod python --terse list': stdout: import os
os.environ["MODULEPATH"] = "/tmp/vsc10009/ebinstall/22268/modules/all:/apps/brussel/RL8/zen2-ib/modules/2024a/all:/apps/brussel/RL8/zen2-ib/modules/2023a/all:/apps/brussel/RL8/zen2-ib/modules/2022a/all:/apps/brussel/RL8/zen2-ib/modules/system/all:/etc/modulefiles/vsc";
os.environ["_ModuleTable001_"] = "X01vZHVsZVRhYmxlXyA9IHsKTVR2ZXJzaW9uID0gMywKY19yZWJ1aWxkVGltZSA9IGZhbHNlLApjX3Nob3J0VGltZSA9IGZhbHNlLApkZXB0aFQgPSB7fSwKZmFtaWx5ID0ge30sCm1UID0ge30sCm1wYXRoQSA9IHsKIi90bXAvdnNjMTAwMDkvZWJpbnN0YWxsLzIyMjY4L21vZHVsZXMvYWxsIiwgIi9hcHBzL2JydXNzZWwvUkw4L3plbjItaWIvbW9kdWxlcy8yMDI0YS9hbGwiLCAiL2FwcHMvYnJ1c3NlbC9STDgvemVuMi1pYi9tb2R1bGVzLzIwMjNhL2FsbCIKLCAiL2FwcHMvYnJ1c3NlbC9STDgvemVuMi1pYi9tb2R1bGVzLzIwMjJhL2FsbCIsICIvYXBwcy9icnVzc2VsL1JMOC96ZW4yLWliL21vZHVsZXMvc3lzdGVtL2FsbCIsICIvZXRjL21vZHVsZWZpbGVzL3ZzYyIsCn0s";
os.environ["_ModuleTable002_"] = "CnN5c3RlbUJhc2VNUEFUSCA9ICIvdG1wL3ZzYzEwMDA5L2ViaW5zdGFsbC8yMjI2OC9tb2R1bGVzL2FsbDovYXBwcy9icnVzc2VsL1JMOC96ZW4yLWliL21vZHVsZXMvMjAyNGEvYWxsOi9hcHBzL2JydXNzZWwvUkw4L3plbjItaWIvbW9kdWxlcy8yMDIzYS9hbGw6L2FwcHMvYnJ1c3NlbC9STDgvemVuMi1pYi9tb2R1bGVzLzIwMjJhL2FsbDovYXBwcy9icnVzc2VsL1JMOC96ZW4yLWliL21vZHVsZXMvc3lzdGVtL2FsbDovZXRjL21vZHVsZWZpbGVzL3ZzYyIsCn0K";
os.environ["_ModuleTable_Sz_"] = "2";
_mlstatus = True
; stderr: No modules loaded
== 2025-02-08 12:52:31,446 modules.py:1474 DEBUG Output found in stdout, seems like '/usr/share/lmod/lmod/libexec/lmod python --terse list' ran fine
== 2025-02-08 12:52:31,446 easyblock.py:3978 INFO Running method make_builddir part of step ready
== 2025-02-08 12:52:31,446 easyblock.py:1079 DEBUG Creating the build directory /tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1 (cleanup: True)
== 2025-02-08 12:52:31,446 filetools.py:1924 INFO Creating directory /tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1 (parents: True, set_gid: False, sticky: False)
== 2025-02-08 12:52:31,449 easyblock.py:3978 INFO Running method reset_env part of step ready
== 2025-02-08 12:52:31,450 easyblock.py:3978 INFO Running method handle_iterate_opts part of step ready
== 2025-02-08 12:52:31,450 easyconfig.py:1705 INFO Generating template values...
== 2025-02-08 12:52:31,450 templates.py:208 DEBUG config: LAMMPS EasyConfig @ /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb
== 2025-02-08 12:52:31,450 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:31,450 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:31,450 templates.py:346 DEBUG name: bitbucket_account, config: %(namelower)s
== 2025-02-08 12:52:31,450 templates.py:346 DEBUG name: github_account, config: %(namelower)s
== 2025-02-08 12:52:31,450 templates.py:346 DEBUG name: name, config: LAMMPS
== 2025-02-08 12:52:31,450 templates.py:346 DEBUG name: parallel, config: 8
== 2025-02-08 12:52:31,451 templates.py:346 DEBUG name: version, config: 20241028
== 2025-02-08 12:52:31,451 templates.py:346 DEBUG name: versionsuffix, config: -kokkos-mace-CUDA-%(cudaver)s
== 2025-02-08 12:52:31,451 templates.py:346 DEBUG name: versionprefix, config:
== 2025-02-08 12:52:31,451 mpi.py:122 INFO Using template MPI command 'mpirun -n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2025-02-08 12:52:31,451 mpi.py:307 INFO Using MPI command template 'mpirun -n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2025-02-08 12:52:31,451 easyconfig.py:1724 INFO Template values: arch='x86_64', bitbucket_account='lammps', builddir='/tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1', cuda_cc_cmake='80', cuda_cc_semicolon_sep='8.0', cuda_cc_space_sep='8.0', cuda_cc_space_sep_no_period='80', cuda_compute_capabilities='8.0', cuda_sm_comma_sep='sm_80', cuda_sm_space_sep='sm_80', cudamajver='12', cudaminver='1', cudashortver='12.1', cudaver='12.1.1', github_account='lammps', installdir='/tmp/vsc10009/ebinstall/22268/software/LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', module_name='LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', mpi_cmd_prefix='mpirun -n 1', name='LAMMPS', nameletter='L', nameletterlower='l', namelower='lammps', parallel='8', pymajver='3', pyminver='11', pyshortver='3.11', pyver='3.11.3', rpath_enabled='false', software_commit='', start_dir='None', sysroot='', toolchain_name='foss', toolchain_version='2023a', version='20241028', version_major='20241028', versionprefix='', versionsuffix='-kokkos-mace-CUDA-12.1.1'
== 2025-02-08 12:52:31,451 build_log.py:267 INFO ... (took < 1 sec)
== 2025-02-08 12:52:31,453 easyblock.py:3962 DEBUG Not skipping source step (skippable: True, skip: None, skipsteps: [], module_only: False, force: True, sanity_check_only: False, skip_extensions: False, skip_test_step: False, skip_sanity_check: False)
== 2025-02-08 12:52:31,453 build_log.py:267 INFO unpacking...
== 2025-02-08 12:52:31,455 easyblock.py:3970 INFO Starting source step
== 2025-02-08 12:52:31,455 easyconfig.py:1705 INFO Generating template values...
== 2025-02-08 12:52:31,455 templates.py:208 DEBUG config: LAMMPS EasyConfig @ /dev/shm/vsc10009/eb-gi0w6ht_/files_pr22268/l/LAMMPS/LAMMPS-20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.eb
== 2025-02-08 12:52:31,456 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:31,456 templates.py:244 DEBUG version found in easyconfig is 20241028
== 2025-02-08 12:52:31,456 templates.py:346 DEBUG name: bitbucket_account, config: %(namelower)s
== 2025-02-08 12:52:31,456 templates.py:346 DEBUG name: github_account, config: %(namelower)s
== 2025-02-08 12:52:31,456 templates.py:346 DEBUG name: name, config: LAMMPS
== 2025-02-08 12:52:31,456 templates.py:346 DEBUG name: parallel, config: 8
== 2025-02-08 12:52:31,456 templates.py:346 DEBUG name: version, config: 20241028
== 2025-02-08 12:52:31,456 templates.py:346 DEBUG name: versionsuffix, config: -kokkos-mace-CUDA-%(cudaver)s
== 2025-02-08 12:52:31,456 templates.py:346 DEBUG name: versionprefix, config:
== 2025-02-08 12:52:31,456 mpi.py:122 INFO Using template MPI command 'mpirun -n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2025-02-08 12:52:31,456 mpi.py:307 INFO Using MPI command template 'mpirun -n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2025-02-08 12:52:31,457 easyconfig.py:1724 INFO Template values: arch='x86_64', bitbucket_account='lammps', builddir='/tmp/LAMMPS/20241028/foss-2023a-kokkos-mace-CUDA-12.1.1', cuda_cc_cmake='80', cuda_cc_semicolon_sep='8.0', cuda_cc_space_sep='8.0', cuda_cc_space_sep_no_period='80', cuda_compute_capabilities='8.0', cuda_sm_comma_sep='sm_80', cuda_sm_space_sep='sm_80', cudamajver='12', cudaminver='1', cudashortver='12.1', cudaver='12.1.1', github_account='lammps', installdir='/tmp/vsc10009/ebinstall/22268/software/LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', module_name='LAMMPS/20241028-foss-2023a-kokkos-mace-CUDA-12.1.1', mpi_cmd_prefix='mpirun -n 1', name='LAMMPS', nameletter='L', nameletterlower='l', namelower='lammps', parallel='8', pymajver='3', pyminver='11', pyshortver='3.11', pyver='3.11.3', rpath_enabled='false', software_commit='', start_dir='None', sysroot='', toolchain_name='foss', toolchain_version='2023a', version='20241028', version_major='20241028', versionprefix='', versionsuffix='-kokkos-mace-CUDA-12.1.1'
== 2025-02-08 12:52:31,457 easyblock.py:3978 INFO Running method checksum_step part of step source
== 2025-02-08 12:52:31,628 build_log.py:171 ERROR EasyBuild crashed with an error (at easybuild/base/exceptions.py:126 in __init__): Missing checksum for LAMMPS-20241028.tar.gz in {'LAMMPS-28Oct2024.tar.gz': '43d1432782806ddae40a9f8fd3a7c7c0dc2fad0c74c440e1b189f42b33da2777'} (at easybuild/tools/filetools.py:1278 in verify_checksum)
== 2025-02-08 12:52:31,628 build_log.py:267 INFO ... (took < 1 sec)
== 2025-02-08 12:52:31,630 config.py:707 DEBUG software install path as specified by 'installpath' and 'subdir_software': /tmp/vsc10009/ebinstall/22268/software
== 2025-02-08 12:52:31,630 filetools.py:2025 INFO Removing lock /tmp/vsc10009/ebinstall/22268/software/.locks/_tmp_vsc10009_ebinstall_22268_software_LAMMPS_20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.lock...
== 2025-02-08 12:52:31,630 filetools.py:385 INFO Path /tmp/vsc10009/ebinstall/22268/software/.locks/_tmp_vsc10009_ebinstall_22268_software_LAMMPS_20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.lock successfully removed.
== 2025-02-08 12:52:31,630 filetools.py:2029 INFO Lock removed: /tmp/vsc10009/ebinstall/22268/software/.locks/_tmp_vsc10009_ebinstall_22268_software_LAMMPS_20241028-foss-2023a-kokkos-mace-CUDA-12.1.1.lock
== 2025-02-08 12:52:31,630 easyblock.py:4305 WARNING build failed (first 300 chars): Missing checksum for LAMMPS-20241028.tar.gz in {'LAMMPS-28Oct2024.tar.gz': '43d1432782806ddae40a9f8fd3a7c7c0dc2fad0c74c440e1b189f42b33da2777'}
== 2025-02-08 12:52:31,631 easyblock.py:332 INFO Closing log for application name LAMMPS version 20241028
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