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Added setup/installation instructions for NERSC
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First, clone the nersc conda env | ||
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``` | ||
conda create --prefix /global/common/software/ntrain7/ptypy_env --clone /global/common/software/nersc/pm-2022q3/sw/python/3.9-anaconda-2021.11 | ||
``` | ||
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Activate the new conda env | ||
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``` | ||
conda activate /global/common/software/ntrain7/ptypy_env | ||
``` | ||
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Add additional packages that we need for ptypy with cupy | ||
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``` | ||
conda install -c conda-forge pyfftw cupy | ||
``` | ||
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Add additional packages that we need for ptypy with pycuda | ||
``` | ||
conda install -c nvidia cuda-nvcc cuda-cudart-dev | ||
conda install -c conda-forge reikna pycuda | ||
``` | ||
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Add additional packages for cufft | ||
``` | ||
conda install -c nvidia libcufft-dev libcufft-static | ||
conda install -c conda-forge cmake>=3.8.0 pybind11 | ||
``` | ||
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Install Ptypy | ||
``` | ||
git clone https://github.com/ptycho/ptypy.git | ||
pip install . | ||
``` | ||
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Install cufft | ||
``` | ||
cd cufft | ||
pip install . | ||
``` | ||
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Add kernel to user settings | ||
``` | ||
python -m ipykernel install --user --name ptypy_env --display-name PtyPy | ||
``` |
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# Last time we used this script: /global/common/software/ntrain3/ptypy_workshop_setup.sh | ||
# This script should be copied into /global/common/software/ntrain7/ | ||
module load conda | ||
conda activate /global/common/software/ntrain7/ptypy_env | ||
#conda activate $HOME/ptypy_env | ||
python -m ipykernel install --user --name ptypy_env --display-name PtyPy | ||
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# Clone tutorials and create link to data | ||
git clone https://github.com/ptycho/tutorials.git $HOME/tutorials | ||
ln -s /global/cfs/cdirs/ntrain7/ptypy_workshop $HOME/tutorials/data |