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Parallel computing with RASPA

Started by kaoutarUM6P, November 13, 2024, 03:09:42 PM

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kaoutarUM6P

I am trying to run co2 adsorption on Mofs using parallelization in an HPC, I already tried running for one Mof, "in 1 node + 56 tasks + 1 cpu per task", but the running time was almost similar (few minutes difference) when using 1 cpus and 1 task (default configuration), so I would like to know if raspa does support parallelization or multi-threading ?

thank you