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version:neper 4.3.1;fepx 1.3.0 neper -T -n 49 -domain 'cube(7,18,7)' -o simulation mpirun -np 4 fepx the following error messages will appear: so I want to know whether the above simulation is correct and can run normally on your computer?Thanks. |
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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 and the compiler used to build the MPI instance on the system, but I am uncertain if it would cause this error specifically. |
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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…