Install pyatb in Westlake-SE
Install pyatb at Westlake-HPC-SE cluster
Create new conda environment
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conda create -n pyatb python=3.13
conda activate pyatb
Load Intel MKL and MPI
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module load oneAPI/2024.0
Install dep
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pip3 install pybind11 mpi4py
Get source code
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git clone https://github.com/pyatb/pyatb.git
cd pyatb
Change siteconfig.py
You should change it according to your own setup
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compiler = 'icpx' # Use non-mpi c++ compiler
mkl_library_dir = '/soft/compiler/intel/oneapi-2024.0/mkl/2024.0/lib/intel64/' # path to lib of MKL
mkl_include_dir = '/soft/compiler/intel/oneapi-2024.0/mkl/2024.0/include' # path to header of MKL
eigen_include_dir = '/soft/devtools/eigen-3.4.0/include/eigen3/' # path to header of eigen3
Install
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pip install .
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