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new file: c/CP2K/CP2K-8.2-foss-2020b.eb new file: c/CP2K/CP2K-8.2-intel-2020b.eb modified: d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6-karolina.eb new file: g/GROMACS/GROMACS-2021.4-fosscuda-2020b-PLUMED-2.7.3.eb modified: g/GROMACS/GROMACS-2021.4-intel-2020b-PLUMED-2.7.2.eb new file: g/GROMACS/GROMACS-2021.4-intel-2020b-PLUMED-2.7.3.eb new file: i/intel-compilers/intel-compilers-2021.4.0.eb new file: l/Libint/Libint-2.6.0-GCC-10.2.0-lmax-6-cp2k.eb new file: l/libxc/libxc-5.1.3-GCC-10.2.0.eb modified: n/NVHPC/NVHPC-21.11.eb new file: o/Octopus/Octopus-11.3-intel-2020b-mpi.eb new file: o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.11-CUDA-11.4.1-v2.eb new file: o/OpenMPI/OpenMPI-4.0.6-NVHPC-21.11-CUDA-11.4.1.eb new file: p/PETSc/PETSc-3.16.2-intel-2020b.eb new file: p/PLUMED/PLUMED-2.7.3-fosscuda-2020b.eb new file: p/phonopy/phonopy-2.12.0-conda.eb new file: u/UCX/UCX-1.11.2-GCCcore-11.2.0.eb new file: u/UCX/UCX-1.11.2-NVHPC-21.11-CUDA-11.4.1.eb new file: v/VASP/VASP-5.4.4-intel-2020a-mkl=sequential-karolina.eb
44 lines
1.5 KiB
Plaintext
44 lines
1.5 KiB
Plaintext
# IT4Innovations 2021
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# LK
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name = 'OpenMPI'
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version = '4.0.6'
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versionsuffix = '-CUDA-11.4.1'
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homepage = 'https://www.open-mpi.org/'
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description = """The Open MPI Project is an open source MPI-3 implementation."""
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toolchain = {'name': 'NVHPC', 'version': '21.11'}
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source_urls = ['https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
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sources = [SOURCELOWER_TAR_GZ]
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dependencies = [
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('UCX', '1.11.2', versionsuffix),
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('CUDAcore', '11.4.1', '', True),
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]
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preconfigopts = 'export CC="pgcc -noswitcherror" && export CXX="pgc++ -noswitcherror" && export FC="pgfortran -noswitcherror" && '
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configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs '
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configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
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configopts += '--enable-mpirun-prefix-by-default '
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configopts += '--with-tm=/opt/pbs ' # Enable PBS
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configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings
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configopts += '--with-ucx=$EBROOTUCX '
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configopts += '--with-cuda=$EBROOTCUDACORE '
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moduleclass = 'mpi'
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#setenv("OMPI_MCA_btl_openib_if_include", "mlx5_0")
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#setenv("export OMPI_MCA_btl_openib_allow_ib", "1")
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#setenv("OMPI_MCA_pml", "^ucx")
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#setenv("OMPI_MCA_orte_base_help_aggregate", "0")
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import os
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if os.environ.get("CLUSTERNAME") in ["BARBORA"]:
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modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
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'OMPI_MCA_btl_openib_allow_ib': '1',
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'OMPI_MCA_orte_base_help_aggregate': '0',
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'OMPI_MCA_pml': '^ucx',
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}
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