Åke Sandgren <ake.sandg...@umu.se> writes:
> It probably failed on something else before that, you need to go hunting in
> the output log.
I couldn't find anything else which seems relevant.
The full log is below.
Cheers,
Loris
== 2023-10-12 16:22:23,390 easyblock.py:313 INFO This is EasyBuild 4.8.1
(framework: 4.8.1, easyblocks: 4.8.1) on host admin.curta.zedat.fu-berlin.de.
== 2023-10-12 16:22:23,390 easyblock.py:319 INFO This is easyblock EB_TINKER
from module easybuild.easyblocks.tinker
(/trinity/shared/easybuild/software/EasyBuild/4.8.1/lib/python3.6/site-packages/easybuild/easyblocks/t/tinker.py)
== 2023-10-12 16:22:23,390 easyblock.py:1056 INFO Build dir set to
/trinity/shared/easybuild/build/TINKER/8.10.5/foss-2022b
== 2023-10-12 16:22:23,390 easyblock.py:1113 INFO Software install dir set to
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b
== 2023-10-12 16:22:23,390 easyblock.py:1118 INFO Module install dir set to
/trinity/shared/easybuild/modules/all
== 2023-10-12 16:22:23,390 easyblock.py:288 INFO Init completed for application
name TINKER version 8.10.5
== 2023-10-12 16:22:23,390 easyblock.py:4220 INFO Obtained application instance
of for TINKER (easyblock: None)
== 2023-10-12 16:22:23,391 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:23,391 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:23,391 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:23,391 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker', github_account='tinker',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
toolchain_name='foss', toolchain_version='2022b', version='8.10.5',
version_major='8', version_major_minor='8.10', version_minor='10',
versionprefix='', versionsuffix=''
== 2023-10-12 16:22:23,392 one.py:180 INFO Skipping reformatting value for
parameter 'toolchain'
== 2023-10-12 16:22:23,393 filetools.py:1911 INFO Creating directory
/tmp/eb-d7kf9bzo/reprod_20231012162223_145058 (parents: True, set_gid: False,
sticky: False)
== 2023-10-12 16:22:23,393 easyblock.py:4474 INFO Dumped easyconfig instance to
/tmp/eb-d7kf9bzo/reprod_20231012162223_145058/TINKER-8.10.5-foss-2022b.eb
== 2023-10-12 16:22:23,393 filetools.py:1911 INFO Creating directory
/tmp/eb-d7kf9bzo/reprod_20231012162223_145058/easyblocks (parents: True,
set_gid: False, sticky: False)
== 2023-10-12 16:22:23,394 filetools.py:2424 INFO
/trinity/shared/easybuild/software/EasyBuild/4.8.1/lib/python3.6/site-packages/easybuild/easyblocks/t/tinker.py
copied to /tmp/eb-d7kf9bzo/reprod_20231012162223_145058/easyblocks/tinker.py
== 2023-10-12 16:22:23,394 easyblock.py:4454 INFO Dumped easyblock tinker.py
required for reproduction to
/tmp/eb-d7kf9bzo/reprod_20231012162223_145058/easyblocks
== 2023-10-12 16:22:23,394 filetools.py:1911 INFO Creating directory
/tmp/eb-d7kf9bzo/reprod_20231012162223_145058/hooks (parents: True, set_gid:
False, sticky: False)
== 2023-10-12 16:22:23,394 filetools.py:2424 INFO
/trinity/home/build/hooks/hpc_hooks.py copied to
/tmp/eb-d7kf9bzo/reprod_20231012162223_145058/hooks/hpc_hooks.py
== 2023-10-12 16:22:23,394 easyblock.py:4486 INFO Dumped hooks file
/trinity/home/build/hooks/hpc_hooks.py which is (potentially) required for
reproduction to /tmp/eb-d7kf9bzo/reprod_20231012162223_145058/hooks/hpc_hooks.py
== 2023-10-12 16:22:23,394 easyblock.py:2225 INFO Number of iterations to
perform for central part of installation procedure: 1
== 2023-10-12 16:22:23,395 build_log.py:267 INFO building and installing
TINKER/8.10.5-foss-2022b...
== 2023-10-12 16:22:23,398 filetools.py:2004 INFO Lock
/trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_TINKER_8.10.5-foss-2022b.lock
does not exist
== 2023-10-12 16:22:23,398 filetools.py:1945 INFO Creating lock at
/trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_TINKER_8.10.5-foss-2022b.lock...
== 2023-10-12 16:22:23,398 filetools.py:1911 INFO Creating directory
/trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_TINKER_8.10.5-foss-2022b.lock
(parents: True, set_gid: False, sticky: False)
== 2023-10-12 16:22:23,399 filetools.py:1954 INFO Lock created:
/trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_TINKER_8.10.5-foss-2022b.lock
== 2023-10-12 16:22:23,399 easyblock.py:297 INFO Changing build dir to
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b
== 2023-10-12 16:22:23,399 build_log.py:267 INFO fetching files...
== 2023-10-12 16:22:23,401 easyblock.py:3942 INFO Starting fetch step
== 2023-10-12 16:22:23,401 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:23,402 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:23,402 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:23,402 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
start_dir='None', toolchain_name='foss', toolchain_version='2022b',
version='8.10.5', version_major='8', version_major_minor='8.10',
version_minor='10', versionprefix='', versionsuffix=''
== 2023-10-12 16:22:23,402 easyblock.py:3950 INFO Running method fetch_step
part of step fetch
== 2023-10-12 16:22:23,402 easyblock.py:2347 WARNING Easyconfig does not
specify an EasyBuild-version (key 'easybuild_version')! Assuming the latest
version
== 2023-10-12 16:22:23,403 easyblock.py:810 INFO Considering directory in which
easyconfig file is located when searching for tinker-8.10.5.tar.gz:
/trinity/home/build/easyconfigs
== 2023-10-12 16:22:23,403 tools.py:273 INFO Found location to 'eb' script via
$EB_SCRIPT_PATH: /trinity/shared/easybuild/software/EasyBuild/4.8.1/bin/eb
== 2023-10-12 16:22:23,403 tools.py:287 INFO Also considering installation
prefix /trinity/shared/easybuild/software/EasyBuild/4.8.1 (determined via path
to 'eb' script)...
== 2023-10-12 16:22:23,403 easyblock.py:851 INFO Found file
tinker-8.10.5.tar.gz at
/trinity/shared/easybuild/sources/t/TINKER/tinker-8.10.5.tar.gz
== 2023-10-12 16:22:23,403 easyblock.py:496 INFO Added sources: [{'name':
'tinker-8.10.5.tar.gz', 'path':
'/trinity/shared/easybuild/sources/t/TINKER/tinker-8.10.5.tar.gz', 'cmd': None,
'checksum': '4673783f1d8f369c9e90add6f8be4aeb8a6969525fd8c09b6f97b7ca93294e94',
'finalpath': '/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b'}]
== 2023-10-12 16:22:23,403 easyblock.py:2390 INFO no patches provided
== 2023-10-12 16:22:23,583 easyblock.py:2400 INFO md5 checksum for
/trinity/shared/easybuild/sources/t/TINKER/tinker-8.10.5.tar.gz:
a5f7eec41defdf31b268661eac53249c
== 2023-10-12 16:22:23,828 easyblock.py:2400 INFO sha256 checksum for
/trinity/shared/easybuild/sources/t/TINKER/tinker-8.10.5.tar.gz:
4673783f1d8f369c9e90add6f8be4aeb8a6969525fd8c09b6f97b7ca93294e94
== 2023-10-12 16:22:23,829 easyblock.py:2435 INFO Checking dirs that need to be
created: ['/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
'/trinity/shared/easybuild/modules/all/TINKER',
'/trinity/shared/easybuild/modules/chem/TINKER']
== 2023-10-12 16:22:23,829 filetools.py:1911 INFO Creating directory
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b (parents: True,
set_gid: False, sticky: False)
== 2023-10-12 16:22:23,830 filetools.py:1911 INFO Creating directory
/trinity/shared/easybuild/modules/all/TINKER (parents: True, set_gid: False,
sticky: False)
== 2023-10-12 16:22:23,835 filetools.py:1911 INFO Creating directory
/trinity/shared/easybuild/modules/chem/TINKER (parents: True, set_gid: False,
sticky: False)
== 2023-10-12 16:22:23,837 build_log.py:267 INFO creating build dir, resetting
environment...
== 2023-10-12 16:22:23,840 easyblock.py:3942 INFO Starting ready step
== 2023-10-12 16:22:23,840 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:23,840 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:23,840 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:23,841 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
start_dir='None', toolchain_name='foss', toolchain_version='2022b',
version='8.10.5', version_major='8', version_major_minor='8.10',
version_minor='10', versionprefix='', versionsuffix=''
== 2023-10-12 16:22:23,841 easyblock.py:3950 INFO Running method
check_readiness_step part of step ready
== 2023-10-12 16:22:23,850 run.py:246 INFO running cmd: ulimit -u
== 2023-10-12 16:22:23,863 easyblock.py:2244 INFO Setting parallelism: 40
== 2023-10-12 16:22:23,943 easyblock.py:2296 WARNING Loaded modules detected:
['EasyBuild/4.8.1']
== 2023-10-12 16:22:23,944 easyblock.py:3950 INFO Running method make_builddir
part of step ready
== 2023-10-12 16:22:23,944 easyblock.py:1068 INFO Overriding
'cleanupoldinstall' (to False), 'cleanupoldbuild' (to True) and
'keeppreviousinstall' because we're building in the installation directory.
== 2023-10-12 16:22:23,945 easyblock.py:1138 INFO Found old directory
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b
== 2023-10-12 16:22:23,945 filetools.py:383 INFO Path
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b successfully
removed.
== 2023-10-12 16:22:23,946 easyblock.py:1146 INFO Removed old directory
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b
== 2023-10-12 16:22:23,946 filetools.py:1911 INFO Creating directory
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b (parents: True,
set_gid: False, sticky: False)
== 2023-10-12 16:22:23,948 easyblock.py:3950 INFO Running method reset_env part
of step ready
== 2023-10-12 16:22:23,949 easyblock.py:3950 INFO Running method
handle_iterate_opts part of step ready
== 2023-10-12 16:22:23,950 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:23,951 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:23,951 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:23,951 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
parallel='40', start_dir='None', toolchain_name='foss',
toolchain_version='2022b', version='8.10.5', version_major='8',
version_major_minor='8.10', version_minor='10', versionprefix='',
versionsuffix=''
== 2023-10-12 16:22:23,952 build_log.py:267 INFO unpacking...
== 2023-10-12 16:22:23,959 easyblock.py:3942 INFO Starting source step
== 2023-10-12 16:22:23,960 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:23,960 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:23,960 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:23,961 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
parallel='40', start_dir='None', toolchain_name='foss',
toolchain_version='2022b', version='8.10.5', version_major='8',
version_major_minor='8.10', version_minor='10', versionprefix='',
versionsuffix=''
== 2023-10-12 16:22:23,961 easyblock.py:3950 INFO Running method checksum_step
part of step source
== 2023-10-12 16:22:24,196 easyblock.py:2453 INFO Checksum verification for
/trinity/shared/easybuild/sources/t/TINKER/tinker-8.10.5.tar.gz using
4673783f1d8f369c9e90add6f8be4aeb8a6969525fd8c09b6f97b7ca93294e94 passed.
== 2023-10-12 16:22:24,196 easyblock.py:3950 INFO Running method extract_step
part of step source
== 2023-10-12 16:22:24,196 easyblock.py:2565 INFO Unpacking source
tinker-8.10.5.tar.gz
== 2023-10-12 16:22:24,198 run.py:246 INFO running cmd: tar xzf
/trinity/shared/easybuild/sources/t/TINKER/tinker-8.10.5.tar.gz
== 2023-10-12 16:22:38,325 build_log.py:267 INFO ... (took 14 secs)
== 2023-10-12 16:22:38,329 build_log.py:267 INFO patching...
== 2023-10-12 16:22:38,332 easyblock.py:3942 INFO Starting patch step
== 2023-10-12 16:22:38,332 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:38,332 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:38,332 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:38,332 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
parallel='40', start_dir='None', toolchain_name='foss',
toolchain_version='2022b', version='8.10.5', version_major='8',
version_major_minor='8.10', version_minor='10', versionprefix='',
versionsuffix=''
== 2023-10-12 16:22:38,333 easyblock.py:3950 INFO Running method patch_step
part of step patch
== 2023-10-12 16:22:38,333 build_log.py:267 INFO preparing...
== 2023-10-12 16:22:38,336 easyblock.py:3942 INFO Starting prepare step
== 2023-10-12 16:22:38,336 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:38,336 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:38,336 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:38,336 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
parallel='40', start_dir='None', toolchain_name='foss',
toolchain_version='2022b', version='8.10.5', version_major='8',
version_major_minor='8.10', version_minor='10', versionprefix='',
versionsuffix=''
== 2023-10-12 16:22:38,336 easyblock.py:3950 INFO Running method prepare_step
part of step prepare
== 2023-10-12 16:22:38,338 modules.py:626 INFO Checking whether foss/2022b
exists...
== 2023-10-12 16:22:38,338 modules.py:634 INFO Module foss/2022b not found in
list of available modules, checking via 'module show'...
== 2023-10-12 16:22:38,628 modules.py:654 INFO Result for existence check of
foss/2022b module: True
== 2023-10-12 16:22:39,295 modules.py:626 INFO Checking whether foss/2022b
exists...
== 2023-10-12 16:22:39,296 modules.py:634 INFO Module foss/2022b not found in
list of available modules, checking via 'module show'...
== 2023-10-12 16:22:39,296 modules.py:654 INFO Result for existence check of
foss/2022b module: True
== 2023-10-12 16:22:39,302 toolchain.py:762 INFO List of toolchain dependency
modules and toolchain definition match!
== 2023-10-12 16:22:39,305 compiler.py:363 INFO _set_optimal_architecture:
using march=native as optarch for x86_64.
== 2023-10-12 16:22:39,337 variables.py:203 WARNING flags_for_subdirs:
directory
/trinity/shared/easybuild/software/ScaLAPACK/2.2.0-gompi-2022b-fb/include was
not found
== 2023-10-12 16:22:39,354 environment.py:93 INFO Environment variable
BLAS_INC_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,354 environment.py:93 INFO Environment variable
EBVARBLAS_INC_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,355 environment.py:93 INFO Environment variable
BLAS_LAPACK_INC_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,355 environment.py:93 INFO Environment variable
EBVARBLAS_LAPACK_INC_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,355 environment.py:93 INFO Environment variable
BLAS_LAPACK_LIB_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,355 environment.py:93 INFO Environment variable
EBVARBLAS_LAPACK_LIB_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,355 environment.py:93 INFO Environment variable
BLAS_LAPACK_MT_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,355 environment.py:93 INFO Environment variable
EBVARBLAS_LAPACK_MT_SHARED_LIBS set to libflexiblas.so,libgfortran.so
(previously undefined)
== 2023-10-12 16:22:39,356 environment.py:93 INFO Environment variable
BLAS_LAPACK_MT_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously
undefined)
== 2023-10-12 16:22:39,356 environment.py:93 INFO Environment variable
EBVARBLAS_LAPACK_MT_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously
undefined)
== 2023-10-12 16:22:39,356 environment.py:93 INFO Environment variable
BLAS_LAPACK_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,356 environment.py:93 INFO Environment variable
EBVARBLAS_LAPACK_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,356 environment.py:93 INFO Environment variable
BLAS_LAPACK_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously
undefined)
== 2023-10-12 16:22:39,356 environment.py:93 INFO Environment variable
EBVARBLAS_LAPACK_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously
undefined)
== 2023-10-12 16:22:39,357 environment.py:93 INFO Environment variable
BLAS_LIB_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,357 environment.py:93 INFO Environment variable
EBVARBLAS_LIB_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,357 environment.py:93 INFO Environment variable
BLAS_MT_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously undefined)
== 2023-10-12 16:22:39,357 environment.py:93 INFO Environment variable
EBVARBLAS_MT_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,357 environment.py:93 INFO Environment variable
BLAS_MT_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously undefined)
== 2023-10-12 16:22:39,357 environment.py:93 INFO Environment variable
EBVARBLAS_MT_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously
undefined)
== 2023-10-12 16:22:39,358 environment.py:93 INFO Environment variable
BLAS_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously undefined)
== 2023-10-12 16:22:39,358 environment.py:93 INFO Environment variable
EBVARBLAS_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,358 environment.py:93 INFO Environment variable
BLAS_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously undefined)
== 2023-10-12 16:22:39,358 environment.py:93 INFO Environment variable
EBVARBLAS_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously undefined)
== 2023-10-12 16:22:39,358 environment.py:93 INFO Environment variable CC set
to gcc (previously undefined)
== 2023-10-12 16:22:39,358 environment.py:93 INFO Environment variable EBVARCC
set to gcc (previously undefined)
== 2023-10-12 16:22:39,358 environment.py:93 INFO Environment variable CFLAGS
set to -O2 -ftree-vectorize -march=native -fno-math-errno (previously undefined)
== 2023-10-12 16:22:39,359 environment.py:93 INFO Environment variable
EBVARCFLAGS set to -O2 -ftree-vectorize -march=native -fno-math-errno
(previously undefined)
== 2023-10-12 16:22:39,359 environment.py:93 INFO Environment variable CPPFLAGS
set to -I/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/include
-I/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include
-I/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,359 environment.py:93 INFO Environment variable
EBVARCPPFLAGS set to
-I/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/include
-I/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include
-I/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,359 environment.py:93 INFO Environment variable CXX set
to g++ (previously undefined)
== 2023-10-12 16:22:39,359 environment.py:93 INFO Environment variable EBVARCXX
set to g++ (previously undefined)
== 2023-10-12 16:22:39,359 environment.py:93 INFO Environment variable CXXFLAGS
set to -O2 -ftree-vectorize -march=native -fno-math-errno (previously undefined)
== 2023-10-12 16:22:39,360 environment.py:93 INFO Environment variable
EBVARCXXFLAGS set to -O2 -ftree-vectorize -march=native -fno-math-errno
(previously undefined)
== 2023-10-12 16:22:39,360 environment.py:93 INFO Environment variable F77 set
to gfortran (previously undefined)
== 2023-10-12 16:22:39,360 environment.py:93 INFO Environment variable EBVARF77
set to gfortran (previously undefined)
== 2023-10-12 16:22:39,360 environment.py:93 INFO Environment variable F90 set
to gfortran (previously undefined)
== 2023-10-12 16:22:39,360 environment.py:93 INFO Environment variable EBVARF90
set to gfortran (previously undefined)
== 2023-10-12 16:22:39,360 environment.py:93 INFO Environment variable F90FLAGS
set to -O2 -ftree-vectorize -march=native -fno-math-errno (previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable
EBVARF90FLAGS set to -O2 -ftree-vectorize -march=native -fno-math-errno
(previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable FC set
to gfortran (previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable EBVARFC
set to gfortran (previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable FCFLAGS
set to -O2 -ftree-vectorize -march=native -fno-math-errno (previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable
EBVARFCFLAGS set to -O2 -ftree-vectorize -march=native -fno-math-errno
(previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable FFLAGS
set to -O2 -ftree-vectorize -march=native -fno-math-errno (previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable
EBVARFFLAGS set to -O2 -ftree-vectorize -march=native -fno-math-errno
(previously undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable
FFTW_INC_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/include (previously
undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable
EBVARFFTW_INC_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/include (previously
undefined)
== 2023-10-12 16:22:39,361 environment.py:93 INFO Environment variable
FFTW_LIB_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
EBVARFFTW_LIB_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
FFTW_SHARED_LIBS set to libfftw3.so (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
EBVARFFTW_SHARED_LIBS set to libfftw3.so (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
FFTW_SHARED_LIBS_MT set to libfftw3.so,libpthread.so (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
EBVARFFTW_SHARED_LIBS_MT set to libfftw3.so,libpthread.so (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
FFTW_STATIC_LIBS set to libfftw3.a (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
EBVARFFTW_STATIC_LIBS set to libfftw3.a (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
FFTW_STATIC_LIBS_MT set to libfftw3.a,libpthread.a (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
EBVARFFTW_STATIC_LIBS_MT set to libfftw3.a,libpthread.a (previously undefined)
== 2023-10-12 16:22:39,362 environment.py:93 INFO Environment variable
FFT_INC_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/include (previously
undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
EBVARFFT_INC_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/include (previously
undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
FFT_LIB_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
EBVARFFT_LIB_DIR set to
/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
FFT_SHARED_LIBS set to libfftw3.so (previously undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
EBVARFFT_SHARED_LIBS set to libfftw3.so (previously undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
FFT_SHARED_LIBS_MT set to libfftw3.so,libpthread.so (previously undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
EBVARFFT_SHARED_LIBS_MT set to libfftw3.so,libpthread.so (previously undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
FFT_STATIC_LIBS set to libfftw3.a (previously undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
EBVARFFT_STATIC_LIBS set to libfftw3.a (previously undefined)
== 2023-10-12 16:22:39,363 environment.py:93 INFO Environment variable
FFT_STATIC_LIBS_MT set to libfftw3.a,libpthread.a (previously undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
EBVARFFT_STATIC_LIBS_MT set to libfftw3.a,libpthread.a (previously undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable FLIBS
set to -lgfortran (previously undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
EBVARFLIBS set to -lgfortran (previously undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
LAPACK_INC_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
EBVARLAPACK_INC_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/include/flexiblas
(previously undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
LAPACK_LIB_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
EBVARLAPACK_LIB_DIR set to
/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib (previously
undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
LAPACK_MT_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,364 environment.py:93 INFO Environment variable
EBVARLAPACK_MT_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
LAPACK_MT_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
EBVARLAPACK_MT_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously
undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
LAPACK_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
EBVARLAPACK_SHARED_LIBS set to libflexiblas.so,libgfortran.so (previously
undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
LAPACK_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
EBVARLAPACK_STATIC_LIBS set to libflexiblas.a,libgfortran.a (previously
undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable LDFLAGS
set to -L/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib64
-L/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib
-L/trinity/shared/easybuild/software/ScaLAPACK/2.2.0-gompi-2022b-fb/lib64
-L/trinity/shared/easybuild/software/ScaLAPACK/2.2.0-gompi-2022b-fb/lib
-L/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib64
-L/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib
-L/trinity/shared/easybuild/software/GCCcore/12.2.0/lib64
-L/trinity/shared/easybuild/software/GCCcore/12.2.0/lib (previously undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
EBVARLDFLAGS set to
-L/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib64
-L/trinity/shared/easybuild/software/FFTW/3.3.10-GCC-12.2.0/lib
-L/trinity/shared/easybuild/software/ScaLAPACK/2.2.0-gompi-2022b-fb/lib64
-L/trinity/shared/easybuild/software/ScaLAPACK/2.2.0-gompi-2022b-fb/lib
-L/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib64
-L/trinity/shared/easybuild/software/FlexiBLAS/3.2.1-GCC-12.2.0/lib
-L/trinity/shared/easybuild/software/GCCcore/12.2.0/lib64
-L/trinity/shared/easybuild/software/GCCcore/12.2.0/lib (previously undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable LIBBLAS
set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,365 environment.py:93 INFO Environment variable
EBVARLIBBLAS set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
LIBBLAS_MT set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
EBVARLIBBLAS_MT set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable LIBFFT
set to -lfftw3 (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
EBVARLIBFFT set to -lfftw3 (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
LIBFFT_MT set to -lfftw3 -lpthread (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
EBVARLIBFFT_MT set to -lfftw3 -lpthread (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
LIBLAPACK set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
EBVARLIBLAPACK set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
LIBLAPACK_MT set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,366 environment.py:93 INFO Environment variable
EBVARLIBLAPACK_MT set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
LIBLAPACK_MT_ONLY set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
EBVARLIBLAPACK_MT_ONLY set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
LIBLAPACK_ONLY set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
EBVARLIBLAPACK_ONLY set to -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable LIBS set
to -lm -lpthread (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
EBVARLIBS set to -lm -lpthread (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
LIBSCALAPACK set to -lscalapack -lflexiblas -lgfortran (previously undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
EBVARLIBSCALAPACK set to -lscalapack -lflexiblas -lgfortran (previously
undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
LIBSCALAPACK_MT set to -lscalapack -lflexiblas -lpthread -lgfortran (previously
undefined)
== 2023-10-12 16:22:39,367 environment.py:93 INFO Environment variable
EBVARLIBSCALAPACK_MT set to -lscalapack -lflexiblas -lpthread -lgfortran
(previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable
LIBSCALAPACK_MT_ONLY set to -lscalapack -lgfortran (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable
EBVARLIBSCALAPACK_MT_ONLY set to -lscalapack -lgfortran (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable
LIBSCALAPACK_ONLY set to -lscalapack -lgfortran (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable
EBVARLIBSCALAPACK_ONLY set to -lscalapack -lgfortran (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable MPICC
set to mpicc (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable
EBVARMPICC set to mpicc (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable MPICXX
set to mpicxx (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable
EBVARMPICXX set to mpicxx (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable MPIF77
set to mpifort (previously undefined)
== 2023-10-12 16:22:39,368 environment.py:93 INFO Environment variable
EBVARMPIF77 set to mpifort (previously undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable MPIF90
set to mpifort (previously undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable
EBVARMPIF90 set to mpifort (previously undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable MPIFC
set to mpifort (previously undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable
EBVARMPIFC set to mpifort (previously undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable
MPI_INC_DIR set to
/trinity/shared/easybuild/software/OpenMPI/4.1.4-GCC-12.2.0/include (previously
undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable
EBVARMPI_INC_DIR set to
/trinity/shared/easybuild/software/OpenMPI/4.1.4-GCC-12.2.0/include (previously
undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable
MPI_LIB_DIR set to
/trinity/shared/easybuild/software/OpenMPI/4.1.4-GCC-12.2.0/lib64 (previously
undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable
EBVARMPI_LIB_DIR set to
/trinity/shared/easybuild/software/OpenMPI/4.1.4-GCC-12.2.0/lib64 (previously
undefined)
== 2023-10-12 16:22:39,369 environment.py:93 INFO Environment variable
MPI_LIB_SHARED set to
/trinity/shared/easybuild/software/OpenMPI/4.1.4-GCC-12.2.0/lib64/libmpi.so
(previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable
EBVARMPI_LIB_SHARED set to
/trinity/shared/easybuild/software/OpenMPI/4.1.4-GCC-12.2.0/lib64/libmpi.so
(previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable
MPI_LIB_STATIC set to (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable
EBVARMPI_LIB_STATIC set to (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable OMPI_CC
set to gcc (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable
EBVAROMPI_CC set to gcc (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable OMPI_CXX
set to g++ (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable
EBVAROMPI_CXX set to g++ (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable OMPI_F77
set to gfortran (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable
EBVAROMPI_F77 set to gfortran (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable OMPI_F90
set to gfortran (previously undefined)
== 2023-10-12 16:22:39,370 environment.py:93 INFO Environment variable
EBVAROMPI_F90 set to gfortran (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable OMPI_FC
set to gfortran (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
EBVAROMPI_FC set to gfortran (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable OPTFLAGS
set to -O2 -ftree-vectorize -march=native (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
EBVAROPTFLAGS set to -O2 -ftree-vectorize -march=native (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
PRECFLAGS set to -fno-math-errno (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
EBVARPRECFLAGS set to -fno-math-errno (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
SCALAPACK_INC_DIR set to (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
EBVARSCALAPACK_INC_DIR set to (previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
SCALAPACK_LIB_DIR set to
/trinity/shared/easybuild/software/ScaLAPACK/2.2.0-gompi-2022b-fb/lib
(previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
EBVARSCALAPACK_LIB_DIR set to
/trinity/shared/easybuild/software/ScaLAPACK/2.2.0-gompi-2022b-fb/lib
(previously undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
SCALAPACK_MT_SHARED_LIBS set to
libscalapack.so,libflexiblas.so,libgfortran.so,libpthread.so (previously
undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
EBVARSCALAPACK_MT_SHARED_LIBS set to
libscalapack.so,libflexiblas.so,libgfortran.so,libpthread.so (previously
undefined)
== 2023-10-12 16:22:39,371 environment.py:93 INFO Environment variable
SCALAPACK_MT_STATIC_LIBS set to
libscalapack.a,libflexiblas.a,libgfortran.a,libpthread.a (previously undefined)
== 2023-10-12 16:22:39,372 environment.py:93 INFO Environment variable
EBVARSCALAPACK_MT_STATIC_LIBS set to
libscalapack.a,libflexiblas.a,libgfortran.a,libpthread.a (previously undefined)
== 2023-10-12 16:22:39,372 environment.py:93 INFO Environment variable
SCALAPACK_SHARED_LIBS set to libscalapack.so,libflexiblas.so,libgfortran.so
(previously undefined)
== 2023-10-12 16:22:39,372 environment.py:93 INFO Environment variable
EBVARSCALAPACK_SHARED_LIBS set to
libscalapack.so,libflexiblas.so,libgfortran.so (previously undefined)
== 2023-10-12 16:22:39,372 environment.py:93 INFO Environment variable
SCALAPACK_STATIC_LIBS set to libscalapack.a,libflexiblas.a,libgfortran.a
(previously undefined)
== 2023-10-12 16:22:39,372 environment.py:93 INFO Environment variable
EBVARSCALAPACK_STATIC_LIBS set to libscalapack.a,libflexiblas.a,libgfortran.a
(previously undefined)
== 2023-10-12 16:22:39,372 easyblock.py:2128 INFO Using
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/ as start dir
== 2023-10-12 16:22:39,372 build_log.py:267 INFO ... (took 1 secs)
== 2023-10-12 16:22:39,376 build_log.py:267 INFO configuring...
== 2023-10-12 16:22:39,378 easyblock.py:3942 INFO Starting configure step
== 2023-10-12 16:22:39,379 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:39,379 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:39,379 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:39,379 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
parallel='40',
start_dir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/',
toolchain_name='foss', toolchain_version='2022b', version='8.10.5',
version_major='8', version_major_minor='8.10', version_minor='10',
versionprefix='', versionsuffix=''
== 2023-10-12 16:22:39,379 hooks.py:205 INFO Found pre_configure_hook hook
== 2023-10-12 16:22:39,379 hooks.py:239 INFO Running 'pre_configure_hook' hook
function (args: [<easybuild.easyblocks.tinker.EB_TINKER object at
0x2aaabae88240>], keyword args: {})...
== 2023-10-12 16:22:39,379 easyblock.py:3950 INFO Running method configure_step
part of step configure
== 2023-10-12 16:22:39,380 tinker.py:80 INFO Using build scripts from
linux/gfortran subdirectory
== 2023-10-12 16:22:39,380 filetools.py:1662 INFO Applying following regex
substitutions to
['/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/link.make']:
[('libfftw3_threads.a libfftw3.a', '-L$EBROOTFFTW/lib -lfftw3_omp -lfftw3')]
== 2023-10-12 16:22:39,380 filetools.py:2424 INFO
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/link.make
copied to
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/link.make.orig.eb
== 2023-10-12 16:22:39,381 filetools.py:1699 INFO Applied the following
substitutions to
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/link.make:
Replaced in line 18: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 19: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 20: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 21: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 22: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 23: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 24: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 25: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 26: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 27: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 28: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 29: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 30: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 31: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 32: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 33: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 34: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 35: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 36: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 37: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 38: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 39: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 40: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 41: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 42: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 43: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 44: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 45: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 46: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 47: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 48: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 49: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 50: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 51: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 52: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 53: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 54: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 55: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 56: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 57: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 58: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 59: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 60: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 61: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 62: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 63: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 64: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 65: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 66: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 67: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 68: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 69: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 70: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 71: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 72: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 73: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 74: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 75: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 76: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 77: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 78: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 79: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 80: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
Replaced in line 81: 'libfftw3_threads.a libfftw3.a' -> '-L$EBROOTFFTW/lib
-lfftw3_omp -lfftw3'
== 2023-10-12 16:22:39,381 build_log.py:267 INFO building...
== 2023-10-12 16:22:39,384 easyblock.py:3942 INFO Starting build step
== 2023-10-12 16:22:39,384 easyconfig.py:1693 INFO Generating template values...
== 2023-10-12 16:22:39,384 mpi.py:122 INFO Using template MPI command 'mpirun
-n %(nr_ranks)s %(cmd)s' for MPI family 'OpenMPI'
== 2023-10-12 16:22:39,384 mpi.py:307 INFO Using MPI command template 'mpirun
-n %(nr_ranks)s %(cmd)s' (params: {'nr_ranks': 1, 'cmd': 'xxx_command_xxx'})
== 2023-10-12 16:22:39,384 easyconfig.py:1712 INFO Template values:
arch='x86_64', bitbucket_account='tinker',
builddir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
github_account='tinker',
installdir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b',
module_name='TINKER/8.10.5-foss-2022b', mpi_cmd_prefix='mpirun -n 1',
name='TINKER', nameletter='T', nameletterlower='t', namelower='tinker',
parallel='40',
start_dir='/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/',
toolchain_name='foss', toolchain_version='2022b', version='8.10.5',
version_major='8', version_major_minor='8.10', version_minor='10',
versionprefix='', versionsuffix=''
== 2023-10-12 16:22:39,384 easyblock.py:3950 INFO Running method build_step
part of step build
== 2023-10-12 16:22:39,385 run.py:246 INFO running cmd:
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/compile.make
== 2023-10-12 16:25:56,804 run.py:700 WARNING Found 12 potential errors (some
may be harmless) in output of
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/compile.make:
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
Fatal Error: Cannot open module file extfld.mod for reading at (1): No
such file or directory
== 2023-10-12 16:25:56,806 run.py:246 INFO running cmd:
/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/library.make
== 2023-10-12 16:25:56,910 build_log.py:171 ERROR EasyBuild crashed with an
error (at
easybuild/software/EasyBuild/4.8.1/lib/python3.6/site-packages/easybuild/base/exceptions.py:126
in __init__): cmd
"/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/library.make"
exited with exit code 1 and output:
a - action.o
a - active.o
a - align.o
a - alterchg.o
a - alterpol.o
a - analysis.o
a - analyz.o
a - angang.o
a - angbnd.o
a - angles.o
a - angpot.o
a - angtor.o
a - argue.o
a - ascii.o
a - atmlst.o
a - atomid.o
a - atoms.o
a - attach.o
a - baoab.o
a - basefile.o
a - bath.o
a - beeman.o
a - bicubic.o
a - bitor.o
a - bitors.o
a - bndpot.o
a - bndstr.o
a - bonds.o
a - born.o
a - bound.o
a - bounds.o
a - boxes.o
a - bussi.o
a - calendar.o
a - cell.o
a - center.o
a - cflux.o
a - charge.o
a - chgpen.o
a - chgpot.o
a - chgtrn.o
a - chkpole.o
a - chkring.o
a - chkxyz.o
a - cholesky.o
a - chrono.o
a - chunks.o
a - clock.o
a - cluster.o
a - column.o
a - command.o
a - connect.o
a - connolly.o
a - control.o
a - couple.o
a - cspline.o
a - ctrpot.o
a - cutoffs.o
a - damping.o
a - dcflux.o
a - deflate.o
a - delete.o
a - deriv.o
a - dexpol.o
a - diagq.o
a - diffeq.o
a - dipole.o
a - disgeo.o
a - disp.o
a - dma.o
a - domega.o
a - dsppot.o
a - eangang.o
a - eangang1.o
a - eangang2.o
a - eangang3.o
a - eangle.o
a - eangle1.o
a - eangle2.o
a - eangle3.o
a - eangtor.o
a - eangtor1.o
a - eangtor2.o
a - eangtor3.o
a - ebond.o
a - ebond1.o
a - ebond2.o
a - ebond3.o
a - ebuck.o
a - ebuck1.o
a - ebuck2.o
a - ebuck3.o
ar: echarge.o: No such file or directory
(at
easybuild/software/EasyBuild/4.8.1/lib/python3.6/site-packages/easybuild/tools/run.py:681
in parse_cmd_output)
== 2023-10-12 16:25:56,912 build_log.py:267 INFO ... (took 3 mins 17 secs)
== 2023-10-12 16:25:56,917 filetools.py:2012 INFO Removing lock
/trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_TINKER_8.10.5-foss-2022b.lock...
== 2023-10-12 16:25:56,917 filetools.py:383 INFO Path
/trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_TINKER_8.10.5-foss-2022b.lock
successfully removed.
== 2023-10-12 16:25:56,918 filetools.py:2016 INFO Lock removed:
/trinity/shared/easybuild/software/.locks/_trinity_shared_easybuild_software_TINKER_8.10.5-foss-2022b.lock
== 2023-10-12 16:25:56,918 easyblock.py:4277 WARNING build failed (first 300
chars): cmd
"/trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/library.make"
exited with exit code 1 and output:
a - action.o
a - active.o
a - align.o
a - alterchg.o
a - alterpol.o
a - analysis.o
a - analyz.o
a - angang.o
a - angbnd.o
a - angles.o
a - angpot.o
a - angtor.o
a
== 2023-10-12 16:25:56,918 easyblock.py:328 INFO Closing log for application
name TINKER version 8.10.5
> ________________________________________
> From: easybuild-requ...@lists.ugent.be <easybuild-requ...@lists.ugent.be> on
> behalf of Loris Bennett <loris.benn...@fu-berlin.de>
> Sent: Thursday, October 12, 2023 17:02
> To: easybuild
> Subject: [easybuild] Error trying to create new EC for TINKER 8.10.3
>
> Hi,
>
> Knowing nothing about TINKER, I took the existing
>
> TINKER-8.8.1-foss-2020a.eb
>
> and changed the version to 8.10.3 and the toolchain to foss/2022b.
>
> The install failed with the following error:
>
> == 2023-10-12 16:25:56,804 run.py:700 WARNING Found 12 potential errors
> (some may be harmless) in output of
> /trinity/shared/easybuild/software/TINKER/8.10.5-foss-2022b/tinker/linux/gfortran/compile.make:
> Fatal Error: Cannot open module file extfld.mod for reading at (1):
> No such file or directory
> ...
> a - ebuck3.o
> ar: echarge.o: No such file or directory
>
> Does anyone have an idea what the problem might be?
>
> Cheers,
>
> Loris
>
> --
> Dr. Loris Bennett (Herr/Mr)
> ZEDAT, Freie Universität Berlin
--
Dr. Loris Bennett (Herr/Mr)
ZEDAT, Freie Universität Berlin
