MPI calculations with Cerberus

Cerberus can be used to run certain solvers MPI parallelized across multiple computing nodes.

Required installation

Cerberus uses the mpi4py Python-package for MPI functionality. It can be installed with pip.

Notice, however that mpi4py will get compiled with whichever MPI-libraries you have available during the pip installation, which means that it is best to run the pip installation in an environment, where the correct MPI-libraries have been loaded.

Running calculations

The MPI libraries used to build both the solver modules and the mpi4py package for Cerberus need to be loaded.

Cerberus can be run with

#!/bin/bash
#SBATCH --cpus-per-task=20
#SBATCH --ntasks=4
#SBATCH --partition=core40
#SBATCH -o output.txt

module load mpi/openmpi-x86_64

mpirun --report-bindings -np 4 --bind-to none --map-by ppr:2:node:pe=20 -oversubscribe python input.py > ulos.txt