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Set up for HPC

Prerequisites

conda likes to install its own version of MPI, which frequently causes issues on HPC clusters. To get around that, first, load your HPC's MPI module. Save the path to the mpicc executable in an environment variable. 

export MPICC=$(which mpicc)

Install the Code

Now you can pip install as shown here

singularity Container

singularity is widely supported on HPC systems. Assuming you have a singularity module available to you, you can follow the instructions here