On Tue, Nov 24, 2020, Lennart Gundelach wrote:
>
>MMPBSA_Error: Must have at least as many frames as processors!
>Error occured on rank 0.
>
>Which to me makes no sense, given my mmpbas.in file:
Several things to try for debugging:
1. Do the mmpbsa_py test cases work in parallel? That will help see if the
problem might be with your inputs.
2. Can you do a short (many fewer frames) analysis with the serial
version? This also can help to narrow down the problem.
3. Have you examined all the output files to look for error messages?
When problems happen with mmpbsa, the actual error messages are often
inside the individual output files.
....good luck....dac
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Received on Tue Nov 24 2020 - 08:00:01 PST
