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June 15, 2024 14:14
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(partial) EasyBuild log for failed build of /tmp/eb-8bdvl0_3/files_pr20070/q/QuantumESPRESSO/QuantumESPRESSO-7.0-foss-2021b.eb (PR(s) #20070) (easyblock PR(s) #3338)
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== 2024-06-14 21:32:20,278 easyblock.py:313 INFO This is EasyBuild 4.9.3.dev0-rd4098ba35371823fd3b92f5732e2227b66092fa8 (framework: 4.9.3.dev0-rd4098ba35371823fd3b92f5732e2227b66092fa8, easyblocks: 4.9.3.dev0-r10e9a62d44d653e04f735962620a33bc22225477) on host cns3. | |
== 2024-06-14 21:32:20,278 easyblock.py:319 INFO This is easyblock EB_QuantumESPRESSOconfig from module easybuild.easyblocks.quantumespresso (/tmp/eb-8bdvl0_3/included-easyblocks-o9mshh_q/easybuild/easyblocks/quantumespresso.py) | |
== 2024-06-14 21:32:20,279 easyblock.py:1056 INFO Build dir set to /tmp/boegelbot/QuantumESPRESSO/7.0/foss-2021b | |
== 2024-06-14 21:32:20,279 config.py:700 DEBUG software install path as specified by 'installpath' and 'subdir_software': /project/boegelbot/Rocky8/haswell/software | |
== 2024-06-14 21:32:20,279 easyconfig.py:2655 DEBUG Determining software installation subdir for QuantumESPRESSO EasyConfig @ /tmp/eb-8bdvl0_3/files_pr20070/q/QuantumESPRESSO/QuantumESPRESSO-7.0-foss-2021b.eb | |
== 2024-06-14 21:32:20,279 easyconfig.py:2658 DEBUG Using fixed naming software installation subdir: QuantumESPRESSO/7.0-foss-2021b | |
== 2024-06-14 21:32:20,280 easyblock.py:1113 INFO Software install dir set to /project/boegelbot/Rocky8/haswell/software/QuantumESPRESSO/7.0-foss-2021b | |
== 2024-06-14 21:32:20,280 config.py:700 DEBUG modules install path as specified by 'installpath' and 'subdir_modules': /project/boegelbot/Rocky8/haswell/modules | |
== 2024-06-14 21:32:20,280 easyblock.py:1118 INFO Module install dir set to /project/boegelbot/Rocky8/haswell/modules/all | |
== 2024-06-14 21:32:20,280 easyblock.py:288 INFO Init completed for application name QuantumESPRESSO version 7.0 | |
== 2024-06-14 21:32:20,280 easyblock.py:4228 INFO Obtained application instance of for QuantumESPRESSO (easyblock: None) | |
== 2024-06-14 21:32:20,281 easyblock.py:4241 DEBUG Skip set to False | |
== 2024-06-14 21:32:20,281 easyconfig.py:1702 INFO Generating template values... | |
== 2024-06-14 21:32:20,281 templates.py:201 DEBUG config: QuantumESPRESSO EasyConfig @ /tmp/eb-8bdvl0_3/files_pr20070/q/QuantumESPRESSO/QuantumESPRESSO-7.0-foss-2021b.eb | |
== 2024-06-14 21:32:20,281 templates.py:231 DEBUG version found in easyconfig is 7.0 | |
== 2024-06-14 21:32:20,282 templates.py:333 DEBUG name: bitbucket_account, config: %(namelower)s | |
== 2024-06-14 21:32:20,282 templates.py:333 DEBUG name: github_account, config: %(namelower)s | |
== 2024-06-14 21:32:20,282 templates.py:333 DEBUG name: name, config: QuantumESPRESSO | |
== 2024-06-14 21:32:20,282 templates.py:333 DEBUG name: parallel, config: 1 | |
== 2024-06-14 21:32:20,282 templates.py:333 DEBUG name: version, config: 7.0 | |
== 2024-06-14 21:32:20,283 templates.py:333 DEBUG name: versionsuffix, config: | |
== 2024-06-14 21:32:20,283 templates.py:333 DEBUG name: versionprefix, config: | |
== 2024-06-14 21:32:20,283 mpi.py:122 INFO Using template MPI command 'mpirun -n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI' | |
== 2024-06-14 21:32:20,283 mpi.py:307 INFO Using MPI command template 'mpirun -n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'}) | |
== 2024-06-14 21:32:20,284 easyconfig.py:1721 INFO Template values: arch='x86_64', bitbucket_account='quantumespresso', cuda_cc_cmake='70', cuda_cc_semicolon_sep='7.0', cuda_cc_space_sep='7.0', cuda_compute_capabilities='7.0', cuda_sm_comma_sep='sm_70', cuda_sm_space_sep='sm_70', github_account='quantumespresso', module_name='QuantumESPRESSO/7.0-foss-2021b', mpi_cmd_prefix='mpirun -n 1', name='QuantumESPRESSO', nameletter='Q', nameletterlower='q', namelower='quantumespresso', parallel='1', sysroot='', toolchain_name='foss', toolchain_version='2021b', version='7.0', version_major='7', version_major_minor='7.0', version_minor='0', versionprefix='', versionsuffix='' | |
== 2024-06-14 21:32:20,284 one.py:150 DEBUG Not copying '__builtins__' variable from parsed easyconfig | |
== 2024-06-14 21:32:20,285 one.py:529 DEBUG Extracted comments: | |
{'above': {'buildopts': ['# The third party packages should be installed separately and added as', | |
'# dependencies. The exception is w90, which is force built, and gipaw', | |
'# which depends on qe source'], | |
'parallel': ['# parallel build tends to fail'], | |
'test_suite_max_failed': ['# allow some test failures (not investigated for old easyconfig)']}, | |
'header': [], | |
'inline': {}, | |
'iterabove': {}, | |
'iterinline': {'checksums': {" '0f26055495c5d757ccd388ff3e8fd1ad036a798d3017f6ea0bcd0ea84b8a5bce',": ' # ' | |
'qe-gipaw-%(version)s.tar.gz', | |
" '268ec506f88c56ba4e9b691c1e81e33a6ad7949f857f1c6c32197f9c2af2a957',": ' # ' | |
'qe-%(version)s-ReleasePack.tgz', | |
" '40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254',": ' # ' | |
'wannier90-3.1.0.tar.gz'}}, | |
'tail': []} | |
== 2024-06-14 21:32:20,285 one.py:180 INFO Skipping reformatting value for parameter 'toolchain' | |
== 2024-06-14 21:32:20,285 one.py:180 INFO Skipping reformatting value for parameter 'toolchainopts' | |
== 2024-06-14 21:32:20,286 easyconfig.py:1265 DEBUG Dumped easyconfig: name = 'QuantumESPRESSO' | |
version = '7.0' | |
homepage = 'https://www.quantum-espresso.org' | |
description = """Quantum ESPRESSO is an integrated suite of computer codes | |
for electronic-structure calculations and materials modeling at the nanoscale. | |
It is based on density-functional theory, plane waves, and pseudopotentials | |
(both norm-conserving and ultrasoft). | |
""" | |
toolchain = {'name': 'foss', 'version': '2021b'} | |
toolchainopts = {'usempi': True, 'openmp': True} | |
source_urls = [ | |
'https://github.com/QEF/q-e/releases/download/qe-%(version)s/', | |
'https://github.com/dceresoli/qe-gipaw/releases/download/%(version)s/', | |
'https://github.com/wannier-developers/wannier90/archive/', | |
] | |
sources = [ | |
'qe-%(version)s-ReleasePack.tgz', | |
'qe-gipaw-%(version)s.tar.gz', | |
{'filename': 'wannier90-3.1.0.tar.gz', 'download_filename': 'v3.1.0.tar.gz'}, | |
] | |
checksums = [ | |
'268ec506f88c56ba4e9b691c1e81e33a6ad7949f857f1c6c32197f9c2af2a957', # qe-%(version)s-ReleasePack.tgz | |
'0f26055495c5d757ccd388ff3e8fd1ad036a798d3017f6ea0bcd0ea84b8a5bce', # qe-gipaw-%(version)s.tar.gz | |
'40651a9832eb93dec20a8360dd535262c261c34e13c41b6755fa6915c936b254', # wannier90-3.1.0.tar.gz | |
] | |
dependencies = [ | |
('HDF5', '1.12.1', '', ('gompi', '2021b')), | |
('ELPA', '2021.05.001'), | |
('libxc', '5.1.6', '', ('GCC', '11.2.0')), | |
] | |
# The third party packages should be installed separately and added as | |
# dependencies. The exception is w90, which is force built, and gipaw | |
# which depends on qe source | |
buildopts = "all gwl xspectra couple epw gipaw w90" | |
# parallel build tends to fail | |
parallel = 1 | |
# allow some test failures (not investigated for old easyconfig) | |
test_suite_max_failed = 3 | |
moduleclass = 'chem' | |
== 2024-06-14 21:32:20,286 filetools.py:1912 INFO Creating directory /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880 (parents: True, set_gid: False, sticky: False) | |
== 2024-06-14 21:32:20,287 easyblock.py:4482 INFO Dumped easyconfig instance to /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880/QuantumESPRESSO-7.0-foss-2021b.eb | |
== 2024-06-14 21:32:20,288 filetools.py:1912 INFO Creating directory /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880/easyblocks (parents: True, set_gid: False, sticky: False) | |
== 2024-06-14 21:32:20,288 filetools.py:2425 INFO /tmp/eb-8bdvl0_3/included-easyblocks-o9mshh_q/easybuild/easyblocks/quantumespresso.py copied to /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880/easyblocks/quantumespresso.py | |
== 2024-06-14 21:32:20,289 easyblock.py:4462 INFO Dumped easyblock quantumespresso.py required for reproduction to /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880/easyblocks | |
== 2024-06-14 21:32:20,289 filetools.py:1912 INFO Creating directory /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880/hooks (parents: True, set_gid: False, sticky: False) | |
== 2024-06-14 21:32:20,290 filetools.py:2425 INFO /home/boegelbot/boegelbot/eb_hooks.py copied to /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880/hooks/eb_hooks.py | |
== 2024-06-14 21:32:20,291 easyblock.py:4494 INFO Dumped hooks file /home/boegelbot/boegelbot/eb_hooks.py which is (potentially) required for reproduction to /tmp/eb-8bdvl0_3/reprod_20240614213220_3422880/hooks/eb_hooks.py | |
== 2024-06-14 21:32:20,292 easyblock.py:2236 INFO Number of iterations to perform for central part of installation procedure: 1 | |
== 2024-06-14 21:32:20,292 build_log.py:267 INFO building and installing QuantumESPRESSO/7.0-foss-2021b... | |
== 2024-06-14 21:32:20,292 config.py:700 DEBUG software install path as specified by 'installpath' and 'subdir_software': /project/boegelbot/Rocky8/haswell/software | |
== 2024-06-14 21:32:20,304 filetools.py:1967 INFO Lock /project/boegelbot/Rocky8/haswell/software/.locks/_project_boegelbot_Rocky8_haswell_software_QuantumESPRESSO_7.0-foss-2021b.lock exists! | |
== 2024-06-14 21:32:20,549 build_log.py:171 ERROR EasyBuild crashed with an error (at easybuild/easybuild-framework/easybuild/base/exceptions.py:126 in __init__): Lock /project/boegelbot/Rocky8/haswell/software/.locks/_project_boegelbot_Rocky8_haswell_software_QuantumESPRESSO_7.0-foss-2021b.lock already exists, aborting! (at easybuild/easybuild-framework/easybuild/tools/filetools.py:2003 in check_lock) | |
== 2024-06-14 21:32:20,549 easyblock.py:4285 WARNING build failed (first 300 chars): Lock /project/boegelbot/Rocky8/haswell/software/.locks/_project_boegelbot_Rocky8_haswell_software_QuantumESPRESSO_7.0-foss-2021b.lock already exists, aborting! | |
== 2024-06-14 21:32:20,549 easyblock.py:328 INFO Closing log for application name QuantumESPRESSO version 7.0 |
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