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Failed to run simulation #76

Answered by mkasemer
Ming-is asked this question in Q&A
Mar 15, 2022 · 1 comments · 3 replies
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@Ming-is - Apologies for the delay in response, my university was on break.

I am unable to reproduce the error on my end. I am using Neper 4.4.1 and FEPX 1.3.0. There is seemingly nothing wrong with the Neper commands that you give, and the supplied FEPX config file contains no immediately apparent errors. I am able to run a simulation using those commands, the supplied FEPX config file, executed using mpirun with 4 processors.

The error you detail is likely something with the MPI installation on your system. This could be any number of things, and I am not an expert on MPI. The first thing that comes to mind is that there could be a mismatch between the compiler you used to build FEPX an…

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@Ming-is
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