[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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