[gmx-developers] running gromacs-2016.4
Steve Walk
swalk.cavium at gmail.com
Thu Jun 28 17:25:08 CEST 2018
Hello,
I'm trying to run this version of gromacs on
recently announced hardware and I'm getting
a run-time error. I was hoping someone could
point to where the error code is defined.
I suspect that it's not recognizing the topology
correctly (it's kind of a big machine).
Any hints would be appreciated.
Steve Walk
Cavium
OMP_NUM_THREADS=1 mpirun -np 20 gmx_mpi mdrun <lots of args>
Adding the -print-exit-codes option shows
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 6
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
===================================================================================
[mpiexec at localhost.localdomain] Exit codes: [localhost.localdomain]
6,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0
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