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Run RASPA using MPI

Started by manuelbenavent, July 17, 2020, 10:07:46 AM

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manuelbenavent

Dear developers,

I was wondering if I could run RASPA using MPI. Or is there any other way to make parallelization?

Thanks
Manuel

dubbelda

RASPA is not a parallel code. There is usually very little reason to in Monte Carlo. Once your system is equilibrated, you can start several independent jobs and just average the results.