add easyconfigs: NVHPC-21.11.eb

Golden_Repo/n/NVHPC/NVHPC-21.11.eb

+name = 'NVHPC'
+version = '21.1'
+local_gccver = '11.2.0'
+
+homepage = 'https://developer.nvidia.com/hpc-sdk/'
+description = """C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)"""
+
+toolchain = SYSTEM
+
+# By downloading, you accept the HPC SDK Software License Agreement (https://docs.nvidia.com/hpc-sdk/eula/index.html)
+accept_eula = True
+source_urls = ['https://developer.download.nvidia.com/hpc-sdk/%(version)s/']
+local_tarball_tmpl = 'nvhpc_2021_%%(version_major)s%%(version_minor)s_Linux_%s_cuda_multi.tar.gz'
+sources = [local_tarball_tmpl % '%(arch)s']
+checksums = [
+    {
+        local_tarball_tmpl % 'x86_64':
+            'd8d8ccd0e558d22bcddd955f2233219c96f7de56aa8e09e7be833e384d32d6aa',
+    }
+]
+
+dependencies = [
+    ('GCCcore', local_gccver),
+    ('binutils', '2.37', '', ('GCCcore', local_gccver)),
+    ('CUDA', '11.5', '', SYSTEM),
+    # This is necessary to avoid cases where just libnuma.so.1 is present in the system and -lnuma fails
+    ('numactl', '2.0.14', '', SYSTEM)
+]
+
+module_add_cuda = False
+
+# specify default CUDA version that should be used by NVHPC
+# should match one of the CUDA versions that are included with this NVHPC version
+# (see install_components/Linux_x86_64/20.7/cuda/)
+# for NVHPC 20.7, those are: 11.0, 10.2, 10.1;
+# this version can be tweaked from the EasyBuild command line with
+# --try-amend=default_cuda_version="10.2" (for example)
+default_cuda_version = '11.5'
+
+# NVHPC EasyBlock supports some features, which can be set via CLI or this easyconfig.
+# The following list gives examples for the easyconfig
+#
+# NVHPC needs CUDA to work. Two options are available: 1) Use NVHPC-bundled CUDA, 2) use system CUDA
+# 1) Bundled CUDA
+#    If no easybuild dependency to CUDA is present, the bundled CUDA is taken. A version needs to be specified with
+#      default_cuda_version = "11.0"
+#    in this easyconfig file; alternatively, it can be specified through the command line during installation with
+#      --try-amend=default_cuda_version="10.2"
+# 2) CUDA provided via EasyBuild
+#    Use CUDAcore as a dependency, for example
+#      dependencies = [('CUDAcore', '11.0.2')]
+#    The parameter default_cuda_version still can be set as above.
+#    If not set, it will be deduced from the CUDA module (via $EBVERSIONCUDA)
+#
+# Define a NVHPC-default Compute Capability
+#   cuda_compute_capabilities = "8.0"
+# Can also be specified on the EasyBuild command line via --cuda-compute-capabilities=8.0
+# Only single values supported, not lists of values!
+#
+# Options to add/remove things to/from environment module (defaults shown)
+#   module_byo_compilers = False  # Remove compilers from PATH (Bring-your-own compilers)
+#   module_nvhpc_own_mpi = False  # Add NVHPC's own pre-compiled OpenMPI
+#   module_add_math_libs = False  # Add NVHPC's math libraries (which should be there from CUDA anyway)
+#   module_add_profilers = False  # Add NVHPC's NVIDIA Profilers
+#   module_add_nccl = False       # Add NVHPC's NCCL library
+#   module_add_nvshmem = False    # Add NVHPC's NVSHMEM library
+#   module_add_cuda = False       # Add NVHPC's bundled CUDA
+
+# this bundle serves as a compiler-only toolchain, so it should be marked as compiler (important for HMNS)
+moduleclass = 'compiler'

Golden_Repo/n/npsmpic/npsmpic-2021b.eb

+easyblock = 'Toolchain'
+
+name = 'npsmpic'
+version = '2021'
+
+homepage = '(none)'
+description = 'NVHPC based compiler toolchain, including Parastation MPICH2 for MPI support.'
+
+toolchain = SYSTEM
+
+local_compiler = ('NVHPC', '21.11')
+
+dependencies = [
+    local_compiler,
+    ('CUDA', '11.5', '', SYSTEM),
+    ('psmpi', '5.5.0-1', '', local_compiler),
+]
+
+moduleclass = 'toolchain'

Golden_Repo/n/nvompic/nvompic-2021b.eb

+easyblock = 'Toolchain'
+
+name = 'nvompic'
+version = '2021b'
+
+homepage = '(none)'
+description = 'NVHPC based compiler toolchain, including OpenMPI for MPI support.'
+
+toolchain = SYSTEM
+
+local_compiler = ('NVHPC', '21.11')
+
+dependencies = [
+    local_compiler,
+    ('CUDA', '11.5', '', SYSTEM),
+    ('OpenMPI', '4.1.1', '', local_compiler),
+]
+
+moduleclass = 'toolchain'

Golden_Repo/o/OpenMPI/OpenMPI-4.1.1-NVHPC-21.11.eb

+easyblock = 'ConfigureMake'
+
+name = 'OpenMPI'
+version = '4.1.1'
+
+homepage = 'https://www.open-mpi.org/'
+description = """The Open MPI Project is an open source MPI-3 implementation."""
+
+toolchain = {'name': 'NVHPC', 'version': '21.11'}
+toolchainopts = {'pic': True}
+
+source_urls = [
+    'https://www.open-mpi.org/software/ompi/v%(version_major_minor)s/downloads']
+sources = [SOURCELOWER_TAR_BZ2]
+checksums = ['e24f7a778bd11a71ad0c14587a7f5b00e68a71aa5623e2157bafee3d44c07cda']
+
+osdependencies = [
+    # needed for --with-verbs
+    ('libibverbs-dev', 'libibverbs-devel', 'rdma-core-devel'),
+    # needed for --with-pmix
+    ('pmix-devel'),
+]
+
+builddependencies = [
+    ('Autotools', '20210726', '', SYSTEM),
+    ('pkg-config', '0.29.2'),
+]
+
+dependencies = [
+    ('zlib', '1.2.11'),
+    ('hwloc', '2.5.0'),
+    ('UCX', '1.11.2', '', SYSTEM),
+    ('CUDA', '11.5', '', SYSTEM),
+    ('libevent', '2.1.12'),
+]
+
+configopts = '--enable-shared '
+configopts += '--with-hwloc=$EBROOTHWLOC '  # hwloc support
+configopts += '--with-ucx=$EBROOTUCX '
+configopts += '--with-verbs '
+configopts += '--with-libevent=$EBROOTLIBEVENT '
+configopts += '--without-orte '
+configopts += '--without-psm2 '
+configopts += '--disable-oshmem '
+configopts += '--with-cuda=$EBROOTCUDA '
+configopts += '--with-ime=/opt/ddn/ime '
+configopts += '--with-gpfs '
+
+# to enable SLURM integration (site-specific)
+configopts += '--with-slurm --with-pmix=external --with-libevent=external --with-ompi-pmix-rte'
+
+local_libs = ["mpi_mpifh", "mpi", "ompitrace", "open-pal", "open-rte"]
+sanity_check_paths = {
+    'files': ["bin/%s" % local_binfile for local_binfile in ["ompi_info", "opal_wrapper"]] +
+             ["lib/lib%s.%s" % (local_libfile, SHLIB_EXT) for local_libfile in local_libs] +
+             ["include/%s.h" % x for x in ["mpi-ext", "mpif-config",
+                                           "mpif", "mpi", "mpi_portable_platform"]],
+    'dirs': [],
+}
+
+moduleclass = 'mpi'

Golden_Repo/p/psmpi/psmpi-5.5.0-1-NVHPC-21.11.eb

+name = 'psmpi'
+version = '5.5.0-1'
+
+homepage = 'https://github.com/ParaStation/psmpi2'
+description = """ParaStation MPI is an open source high-performance MPI 3.0 implementation,
+based on MPICH v3. It provides extra low level communication libraries and integration with
+various batch systems for tighter process control.
+"""
+
+toolchain = {'name': 'NVHPC', 'version': '21.11'}
+
+sources = [SOURCE_TAR_BZ2]
+source_urls = ['https://github.com/ParaStation/psmpi/archive/']
+checksums = [
+    # psmpi-5.5.0-1.tar.bz2
+    'c178bf618f139857c1bc191938677145cf4fdbec5b8d3afa2ca1de666c791b48',
+    # psmpi-5.5.0-1_ime.patch
+    'c2418b9511560dca197242508de9c7b6b117122912b6d3a4aa18398834f465ff',
+    '978eb3223c978477c40987f745c07fda26ccbad2f468616faf92f0d71b81a156',  # psmpi_shebang.patch
+]
+
+builddependencies = [
+    # needed for autogen.sh on CentOS 7
+    ('Autotools', '20210726'),
+    # Autoconf >2.69 is generating a buggy configure script, so take it down to the one that works
+    ('Autoconf', '2.69'),
+]
+dependencies = [
+    ('pscom', '5.4-default', '', SYSTEM),
+    # needed due to the inclusion of hwloc
+    ('libxml2', '2.9.10'),
+    # Including CUDA here to trigger the hook to add the gpu property, and because it is actually needed
+    ('CUDA', '11.5', '', SYSTEM)
+]
+
+patches = [
+    'psmpi_shebang.patch',
+    'psmpi-5.5.0-1_ime.patch'
+]
+
+# mpich_opts = '--enable-static --with-file-system=ime+ufs+gpfs --enable-romio'
+# We disable gpfs support, since it seems to be problematic under some circumstances. One can disable it by setting
+# ROMIO_FSTYPE_FORCE="ufs:", but then we loose IME support
+mpich_opts = '--enable-static --with-file-system=ime+ufs --enable-romio'
+
+preconfigopts = "./autogen.sh && "
+preconfigopts += 'export CFLAGS="-I/opt/ddn/ime/include $CFLAGS" && '
+preconfigopts += 'export LDFLAGS="$LDFLAGS -L/opt/ddn/ime/lib -lim_client" && '
+
+threaded = False
+
+cuda = True
+
+# We need this here since the hook does not consider the compiler toolchain when injecting these vars
+# Add a family for our naming scheme
+modluafooter = '''
+add_property("arch","gpu")
+family("mpi")
+if not ( isloaded("mpi-settings/CUDA") ) then
+    load("mpi-settings/CUDA")
+end
+'''
+
+moduleclass = 'mpi'