new file: n/NVHPC/NVHPC-20.11-CUDA-11.0-OpenMPI-4.0.5-test.eb

n/NVHPC/NVHPC-20.11-CUDA-11.0-OpenMPI-4.0.5-test.eb

+# JH 2020
+
+name = 'NVHPC'
+version = '20.11'
+versionsuffix = '-CUDA-11.0-OpenMPI-4.0.5-test'
+
+homepage = 'https://developer.nvidia.com/hpc-sdk/'
+description = """C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)"""
+
+toolchain = SYSTEM
+
+# NVHPC can be downloaded freely from NVIDIA's website at https://developer.nvidia.com/hpc-sdk
+# It requires accepting the HPC SDK Software License Agreement (https://docs.nvidia.com/hpc-sdk/eula/index.html)
+# If you accept the License Agreement, you may also uncomment the following line to automatically download the sources
+source_urls = ['https://developer.download.nvidia.com/hpc-sdk/%(version)s/']
+sources = ['nvhpc_2020_%(version_major)s%(version_minor)s_Linux_x86_64_cuda_multi.tar.gz']
+checksums = ['c80fc26e5ba586696f7030f03054c1aaca0752a891c7923faf47eb23b66857ec']
+
+local_gccver = '10.2.0'
+dependencies = [
+    ('GCCcore', local_gccver),
+    ('binutils', '2.35', '', ('GCCcore', local_gccver)),
+    # This is necessary to avoid cases where just libnuma.so.1 is present in the system and -lnuma fails
+    ('numactl', '2.0.13', '', ('GCCcore', local_gccver)),
+    ('UCX', '1.9.0', '-CUDA-11.1.1', ('GCCcore', '10.2.0')),
+]
+
+# 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_64/20.9/cuda/)
+# for NVHPC 20.11, those are: 11.1, 11.0, 10.2;
+# this version can be tweaked from the EasyBuild command line with --try-amend=default_cuda_version="10.2" (for example)
+default_cuda_version = '11.0' #Driver Version: 450.80.02
+
+# 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 = "7.0"
+# Can also be specified on the EasyBuild command line via --cuda-compute-capabilities=8.0
+# Only single values supported, not lists of values!
+cuda_compute_capabilities = '7.0' #V100 GPU
+
+# Options to add/remove things to/from environment module (defaults shown)
+#   module_byo_compilers = Yes  # Remove compilers from PATH (Bring-your-own compilers)
+#   module_nvhpc_own_mpi = Yes  # Add NVHPC's own pre-compiled OpenMPI
+#   module_add_math_libs = Yes  # Add NVHPC's math libraries (which should be there from CUDA anyway)
+#   module_add_profilers = Yes  # Add NVHPC's NVIDIA Profilers
+#   module_add_nccl = Yes       # Add NVHPC's NCCL library
+#   module_add_nvshmem = Yes    # Add NVHPC's NVSHMEM library
+#   module_add_cuda = Yes       # Add NVHPC's bundled CUDA
+
+local_openmpi_path = "Linux_x86_64/%(version)s/comm_libs/openmpi4/openmpi-4.0.5"
+modextrapaths = {
+     'PATH': "%s/bin" % (local_openmpi_path),
+     'LD_LIBRARY_PATH': "%s/lib" % (local_openmpi_path),
+     'LIBRARY_PATH': "%s/lib" % (local_openmpi_path),
+     'CPATH': "%s/include" % (local_openmpi_path),
+     'MANPATH': "%s/share/man" % (local_openmpi_path),
+     'PKG_CONFIG_PATH': "%s/pkgconfig" % (local_openmpi_path),
+}
+
+modextravars = {
+     'OMPI_MCA_btl_openib_if_include': 'mlx5_0',
+     'OMPI_MCA_btl_tcp_if_include': '10.33.4.0/24',
+     'OMPI_MCA_orte_base_help_aggregate': '0',
+}
+
+# this bundle serves as a compiler-only toolchain, so it should be marked as compiler (important for HMNS)
+moduleclass = 'compiler'