Parallel computing with RASPA

[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

[David Dubbeldam]

No, RASPA does not use parallelism. But, for example, usually each point in an isotherm is computed separately and you can use an "embarrassingly parallel" approach.