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new file: b/BLIS/BLIS-0.8.1_fix_dgemm-fpe-signalling-on-broadwell.patch new file: b/BLIS/BLIS-2.2-GCCcore-10.2.0.eb new file: b/BLIS/BLIS-2.2-amd_fix-undefined-reference-blist-abort.patch new file: b/BLIS/BLIS-3.0.1-GCCcore-10.2.0.eb new file: b/Biopython/Biopython-1.72-foss-2020b-Python-2.7.18.eb new file: c/Cordax/Cordax-1.0-Python-2.7.18.eb new file: d/DFTB+/DFTB+-21.2-intel-2020b-Python-3.8.6.eb new file: d/DFTB+/DFTB+-21.2-intel-2020b-TB.eb new file: d/Dakota/Dakota-6.15.0-fix_lapack_detection.patch new file: d/Dakota/Dakota-6.15.0-foss-2021b.eb new file: d/Dakota/Dakota-6.15.0-intel-2021b.eb new file: e/ELPA/ELPA-2020.11.001-fosscuda-2020b.eb new file: f/FoldX/FoldX-5.0.eb new file: f/Forge/Forge-21.1.3.eb new file: g/GROMACS/GROMACS-2018.8-fosscuda-2020b-PLUMED-2.5.6-switch.eb new file: g/GROMACS/GROMACS-2021.4-foss-2020b-PLUMED-2.7.3.eb new file: h/HDF5/HDF5-1.12.1-NVHPC-21.11.eb new file: h/HDF5/HDF5-1.12.1-foss-2021b-parallel.eb new file: h/HDF5/HDF5-1.12.1-iimpi-2021b.eb new file: h/HDF5/HDF5-1.12.1-intel-2021b-parallel.eb new file: h/HyperQueue/HyperQueue-0.8.0.eb new file: h/Hypre/Hypre-2.23.0-intel-2020b.eb new file: h/h5py/h5py-3.6.0-intel-2021b.eb new file: l/LAPACK/LAPACK-3.10.0-GCC-11.2.0.eb new file: l/libFLAME/libFLAME-5.2.0-GCCcore-10.2.0.eb new file: m/MaSuRCA/MaSuRCA-4.0.7-foss-2020a-Perl-5.30.2.eb new file: m/Molpro/Molpro-mpp-2022.1.1.linux_x86_64_mpipr.eb new file: m/Molpro/Molpro-mpp-2022.1.1.linux_x86_64_sockets.eb new file: n/nompi/nompi-2022a.eb new file: o/ORCA/ORCA-5.0.3-OpenMPI-4.1.1.eb modified: o/Octopus/Octopus-11.3-intel-2020b-mpi.eb new file: o/OpenCV/OpenCV-4.5.3-foss-2021a-CUDA-11.3.1-contrib.eb new file: o/OpenCV/OpenCV-4.5.5-foss-2021a-CUDA-11.4.1-contrib.eb new file: o/OpenMPI/OpenMPI-4.1.1-GCC-11.2.0.eb new file: o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0-Java-1.8.0_221.eb new file: o/OpenMPI/OpenMPI-4.1.2-GCC-11.2.0.eb modified: p/PETSc/PETSc-3.14.4-intel-2020b.eb modified: p/PLUMED/PLUMED-2.5.6-fosscuda-2020b-patch.eb new file: p/PLUMED/PLUMED-2.5.6-fosscuda-2020b-switch.eb new file: p/PLUMED/PLUMED-2.7.3-foss-2020b.eb modified: p/phonopy/phonopy-2.12.0-conda.eb modified: q/QMCPACK/QMCPACK-3.11.0-intel-2020b-Python-3.8.6.eb new file: q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb new file: q/QMCPACK/QMCPACK-3.12.0-intel-2021b-Python-3.9.6-lowopt.eb new file: q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2021a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.0-NVHPC-21.9.eb new file: r/rocm-cuda2hip/rocm-cuda2hip-4.3.1-gcccuda-2020b.eb new file: s/ScaLAPACK/ScaLAPACK-2.2-NVHPC-21.11.eb new file: t/Tango/Tango.eb new file: t/Tensorflow/TensorFlow-2.5.0-fosscuda-2020b.eb new file: v/VASP/VASP-5.4.1-24Jun15-intel-2020b.eb new file: w/Waltz/Waltz.eb new file: y/Yambo/Yambo-5.0.4-intel-2020a.eb
88 lines
3.3 KiB
Plaintext
88 lines
3.3 KiB
Plaintext
# IT4Innovations
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# LK 2022
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name = 'OpenMPI'
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version = '4.1.1'
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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': 'GCC', 'version': '11.2.0'}
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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_BZ2]
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patches = [
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'OpenMPI-4.1.1_fix-bufferoverflow-in-common_ofi.patch',
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'OpenMPI-4.0.6_remove-pmix-check-in-pmi-switch.patch',
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'OpenMPI-4.1.1_opal-pmix-package-rank.patch',
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'OpenMPI-4.1.1_pmix3x-protection.patch',
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'OpenMPI-4.1.0-1-pml-ucx-datatype-memleak.patch',
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]
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checksums = [
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'e24f7a778bd11a71ad0c14587a7f5b00e68a71aa5623e2157bafee3d44c07cda', # openmpi-4.1.1.tar.bz2
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# OpenMPI-4.1.1_fix-bufferoverflow-in-common_ofi.patch
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'a189d834506f3d7c31eda6aa184598a3631ea24a94bc551d5ed1f053772ca49e',
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# OpenMPI-4.0.6_remove-pmix-check-in-pmi-switch.patch
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'8acee6c9b2b4bf12873a39b85a58ca669de78e90d26186e52f221bb4853abc4d',
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'04353672cf7be031e5306c94068d7012d99e6cd94b69d93230797ffcd7f31903', # OpenMPI-4.1.1_opal-pmix-package-rank.patch
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'384ef9f1fa803b0d71dae2ec0748d0f20295992437532afedf21478bda164ff8', # OpenMPI-4.1.1_pmix3x-protection.patch
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# OpenMPI-4.1.0-1-pml-ucx-datatype-memleak.patch
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'a94a74b174ce783328abfd3656ff5196b89ef4c819fe4c8b8a0f1277123e76ea',
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]
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builddependencies = [
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('pkg-config', '0.29.2'),
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]
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dependencies = [
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('zlib', '1.2.11'),
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('hwloc', '2.5.0'),
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('libevent', '2.1.12'),
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('UCX', '1.11.2'),
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('libfabric', '1.13.2'),
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('PMIx', '4.1.0'),
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]
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configopts = '--enable-shared --enable-mpi-thread-multiple --with-verbs '
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configopts += '--enable-mpirun-prefix-by-default '
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configopts += '--with-hwloc=$EBROOTHWLOC ' # hwloc support
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configopts += '--with-tm=/opt/pbs ' # Enable PBS
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configopts += '--enable-mpi-cxx ' # Enable building the C++ MPI bindings
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configopts += '--with-ucx=$EBROOTUCX '
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osdependencies = [('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel')]
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postinstallcmds = [
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'echo "# By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default." >> %(installdir)s/etc/openmpi-mca-params.conf',
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'echo "btl_openib_allow_ib = true" >> %(installdir)s/etc/openmpi-mca-params.conf',
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]
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libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
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sanity_check_paths = {
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'files': [
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"bin/%s" %
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binfile for binfile in [
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"ompi_info", "opal_wrapper", "orterun"]] + [
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"lib/lib%s.%s" %
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(libfile, SHLIB_EXT) for libfile in libs] + [
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"include/%s.h" %
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x for x in [
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"mpi-ext", "mpif-config", "mpif", "mpi", "mpi_portable_platform"]], 'dirs': [], }
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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_tcp_if_include': '10.33.4.0/24',
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'OMPI_MCA_orte_base_help_aggregate': '0',
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}
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elif os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
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modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
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'OMPI_MCA_orte_base_help_aggregate': '0',
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}
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else:
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modextravars = {'OMPI_MCA_btl_openib_if_include': 'mlx4_0',
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'OMPI_MCA_oob_tcp_if_include': '10.0.0.0/8',
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}
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moduleclass = 'mpi'
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