[gmx-developers] running gromacs-2016.4

[Martin]

try:

mpirun -np 20 gmx_mpi -ntomp 1 -ntmpi 20 mdrun <lots of args>


On 28/06/18 16:25, Steve Walk wrote:
>
> 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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