Dear All,
I am trying to run MD equilibration on sander.MPI but every time it's
throwing the following error
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
I checked my input file, command, and directories.
Can someone help with this problem?
Thanks in advance
Priyasha
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Received on Fri Jun 27 2025 - 03:00:02 PDT
