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Frontier (OLCF): cupy (ECP-WarpX#4247)
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Documenting cupy installation for Frontier.
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ax3l authored Nov 29, 2023
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13 changes: 12 additions & 1 deletion Tools/machines/frontier-olcf/install_dependencies.sh
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Expand Up @@ -90,7 +90,10 @@ python3 -m pip install --upgrade build
python3 -m pip install --upgrade packaging
python3 -m pip install --upgrade wheel
python3 -m pip install --upgrade setuptools
python3 -m pip install --upgrade cython
# cupy and h5py need an older Cython
# https://github.com/cupy/cupy/issues/4610
# https://github.com/h5py/h5py/issues/2268
python3 -m pip install --upgrade "cython<3.0"
python3 -m pip install --upgrade numpy
python3 -m pip install --upgrade pandas
python3 -m pip install --upgrade scipy
Expand All @@ -100,6 +103,14 @@ python3 -m pip install --upgrade matplotlib
python3 -m pip install --upgrade yt
# install or update WarpX dependencies such as picmistandard
python3 -m pip install --upgrade -r $HOME/src/warpx/requirements.txt
# cupy for ROCm
# https://docs.cupy.dev/en/stable/install.html#building-cupy-for-rocm-from-source
# https://github.com/cupy/cupy/issues/7830
CC=cc CXX=CC \
CUPY_INSTALL_USE_HIP=1 \
ROCM_HOME=${ROCM_PATH} \
HCC_AMDGPU_TARGET=${AMREX_AMD_ARCH} \
python3 -m pip install -v cupy
# optional: for libEnsemble
python3 -m pip install -r $HOME/src/warpx/Tools/LibEnsemble/requirements.txt
# optional: for optimas (based on libEnsemble & ax->botorch->gpytorch->pytorch)
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