[ELPA] [package list]

ELPA/2024.05.001-cpeCray-24.03-rocm (ELPA-2024.05.001-cpeCray-24.03-rocm.eb)

Install with the EasyBuild-user module:

eb ELPA-2024.05.001-cpeCray-24.03-rocm.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider ELPA/2024.05.001-cpeCray-24.03-rocm.

EasyConfig:

# Contributed by Luca Marsella (CSCS)
# Some adaptations by Kurt Lust (University of Antwerpen and LUMI consortium)
# GPU version adapted for LUMI
#DOC Some performance degradation has been observed with ROCm 6.0. It may be solved
#DOC by using rocm/6.2.2 when running instead if that module is compatible with
#DOC your code.
easyblock = 'ConfigureMake'

local_ELPA_version = '2024.05.001'

name =    'ELPA'
version = local_ELPA_version
versionsuffix = '-rocm'

homepage = 'http://elpa.mpcdf.mpg.de'

whatis = [
    "Description: ELPA - Eigenvalue SoLvers for Petaflop-Applications",
]

description = """
The publicly available ELPA library provides highly efficient and highly
scalable direct eigensolvers for symmetric matrices. Though especially designed
for use for PetaFlop/s applications solving large problem sizes on massively
parallel supercomputers, ELPA eigensolvers have proven to be also very efficient
for smaller matrices. All major architectures are supported.

ELPA provides static and shared libraries with and without OpenMP support
and with and without MPI. GPU kernels are not included in this module.
"""

docurls = [
    'Manual pages in section 1 and 3'
]

toolchain = {'name': 'cpeCray', 'version': '24.03'}
toolchainopts = {'usempi': True, 'openmp': False}

source_urls = ['https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/%(version)s/']
sources =  ['elpa-%(version)s.tar.gz']
checksums = ['9caf41a3e600e2f6f4ce1931bd54185179dade9c171556d0c9b41bbc6940f2f6']

patches = [
   'elpa-2024.05.001-cray-ftn.patch',
]

builddependencies = [ 
    ('buildtools', '%(toolchain_version)s', '', True),
]

dependencies = [
    ('cray-libsci', EXTERNAL_MODULE),
    ('rocm',        EXTERNAL_MODULE),
]

configopts = ' '.join([
    'CPP=cpp CC=cc CXX=hipcc FC=ftn',
    'CFLAGS="-g $CFLAGS"',
    'FCFLAGS="-g $FCFLAGS"',
    'CXXFLAGS="-g --offload-arch=gfx90a -std=c++17 -I$ROCM_PATH/include/hip -I$ROCM_PATH/include/ -I$ROCM_PATH/include/rocsolver -I$CRAY_MPICH_DIR/include"',
    '--enable-static',
    '--disable-generic',
    '--disable-sse',
    '--disable-avx',
    '--enable-avx2',
    '--disable-avx512',
    '--enable-amd-gpu-kernels',
    '--with-AMD-gpu-support-only',
    '--enable-gpu-streams=amd',
    '--enable-hipcub',
    '--enable-single-precision ',
    '--disable-openmp',
    '--with-mpi=yes',
    '--enable-cuda-aware-mpi',
    '--with-rocsolver',
])

prebuildopts = 'export CPATH=$ROCM_PATH/include/hipblas && make clean && '
prebuildopts += 'export TMPDIR=/local/tmp/ && '

maxparallel = 16

sanity_check_paths = {
    'files': ['lib/libelpa.a', 'lib/libelpa.so'],
    'dirs':  ['bin', 'lib/pkgconfig',
              'include/%(namelower)s-%(version)s/%(namelower)s', 'include/%(namelower)s-%(version)s/modules',]
}

modextrapaths = {
    'CPATH': ['include/elpa-%(version)s']
}

modextravars = {
    'ELPA_INCLUDE_DIR': '%(installdir)s/include/elpa-%(version)s',
}

moduleclass = 'math'

[ELPA] [package list]