On Fri, Mar 04, 2022, Purnawan pontana putra wrote:
>
>I am using mmpbsa.py to Calculate the binding free energy.
>Can I use all available cores (80-100%) on my processor, I see only 8% CPU
>used, I am using Ryzen 5 6 Cores, and 12 threads?
I think the only parallelization strategy here is via MPI. So have a look
at MMPBSA.py.MPI.
....hope this helps....dac
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Received on Sat Mar 05 2022 - 06:00:02 PST
