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Commit 75fd5ff8 authored by Jens Henrik Göbbert's avatar Jens Henrik Göbbert
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update PyEarthSystem to OpenMPI

parent 7c1bc238
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...@@ -19,7 +19,6 @@ toolchainopts = {'pic': True} ...@@ -19,7 +19,6 @@ toolchainopts = {'pic': True}
builddependencies = [ builddependencies = [
('binutils', '2.38'), ('binutils', '2.38'),
# just ensure they exist (if they can be loaded here) # just ensure they exist (if they can be loaded here)
# ('NVHPC', '23.1'),
('netcdf4-python', '1.6.1', '-serial'), ('netcdf4-python', '1.6.1', '-serial'),
('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')), ('SciPy-bundle', '2022.05', '', ('gcccoremkl', '11.3.0-2022.1.0')),
('xarray', '2022.9.0', '', ('gcccoremkl', '11.3.0-2022.1.0')), ('xarray', '2022.9.0', '', ('gcccoremkl', '11.3.0-2022.1.0')),
...@@ -35,9 +34,8 @@ builddependencies = [ ...@@ -35,9 +34,8 @@ builddependencies = [
('ImageMagick', '7.1.0-37'), ('ImageMagick', '7.1.0-37'),
('GDAL', '3.5.0'), ('GDAL', '3.5.0'),
('numba', '0.56.4', '-CUDA-11.7', ('gcccoremkl', '11.3.0-2022.1.0')), ('numba', '0.56.4', '-CUDA-11.7', ('gcccoremkl', '11.3.0-2022.1.0')),
# ('ParaStationMPI', '5.7.0-1'), # ('OpenMPI', ''),
# ('NCO', '5.1.4'), # ('NCO', '5.1.3'),
# req. GCC-toolchain not NVHPC-toolchain),
# ('CDO', '2.1.1'), # ('CDO', '2.1.1'),
# ('mpi4py', '3.1.4'), # ('mpi4py', '3.1.4'),
# ('PyTorch', '1.12.0', '-CUDA-11.7'), # ('PyTorch', '1.12.0', '-CUDA-11.7'),
...@@ -105,15 +103,16 @@ postinstallcmds = [ ...@@ -105,15 +103,16 @@ postinstallcmds = [
'\n' '\n'
'# Load required modules \n' '# Load required modules \n'
'module load Stages/${STAGE} \n' 'module load Stages/${STAGE} \n'
'module load NVHPC/23.1 \n' 'module load GCC/11.3.0 \n'
'module load OpenMPI \n'
'module load %s/.%s%s \n' 'module load %s/.%s%s \n'
'\n' '\n'
'module load netcdf4-python/1.6.1-serial \n' 'module load netcdf4-python/1.6.1-serial \n'
'module load SciPy-bundle/2022.05 \n' 'module load SciPy-bundle/2022.05 \n'
'module load xarray/2022.9.0 \n' 'module load xarray/2022.9.0 \n'
'module load dask/2022.12.0 \n' 'module load dask/2022.12.0 \n'
'module load TensorFlow/2.11.0-CUDA-11.7 \n'
'module load Cartopy/0.21.0 \n' 'module load Cartopy/0.21.0 \n'
'module load TensorFlow/2.11.0-CUDA-11.7 \n'
'module load Ninja/1.10.2 \n' 'module load Ninja/1.10.2 \n'
'module load git/2.36.0-nodocs \n' 'module load git/2.36.0-nodocs \n'
'module load GSL/2.7 \n' 'module load GSL/2.7 \n'
...@@ -124,13 +123,10 @@ postinstallcmds = [ ...@@ -124,13 +123,10 @@ postinstallcmds = [
'module load GDAL/3.5.0 \n' 'module load GDAL/3.5.0 \n'
'module load numba/0.56.4-CUDA-11.7 \n' 'module load numba/0.56.4-CUDA-11.7 \n'
'\n' '\n'
'module load ParaStationMPI/5.7.0-1 \n' 'module load NCO/5.1.3 \n'
'module load NCO/5.1.4 \n' 'module load CDO/2.1.1 \n'
'\n' 'module load mpi4py/3.1.4 \n'
'# req. GCC-toolchain not NVHPC-toolchain \n' 'module load PyTorch/1.12.0-CUDA-11.7 \n'
'# module load CDO/2.1.1 \n'
'# module load mpi4py/3.1.4 \n'
'# module load PyTorch/1.12.0-CUDA-11.7 \n'
'\n' '\n'
'export PYTHONPATH=%%(installdir)s/lib/python%%(pyshortver)s/site-packages:\$PYTHONPATH \n' 'export PYTHONPATH=%%(installdir)s/lib/python%%(pyshortver)s/site-packages:\$PYTHONPATH \n'
'exec python -m ipykernel \$@\n' 'exec python -m ipykernel \$@\n'
......
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