RE: ERROR During MPI run

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Sat Oct 12 2019 - 16:38:24 CDT

Copy the full input and output from the terminal. Right now there isn't enough information to give useful advice. My first suggestion is to check that you actually have an MPI executable, since oftentimes folks try to run the multicore builds with MPI, which doesn't work.

-Josh

On 2019-10-12 04:56:22-06:00 owner-namd-l_at_ks.uiuc.edu wrote:

Respected sir/ma'am
I was trying to run replica exchange Molecular dynamics and on running command
Mpirun ./namd2 +replicas 8 <conf file> output file
And getting error as standalone 1 process is returning 0

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