[gmx-users] Gromacs on Xserver G5 /MPI

[abelius]

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Mpi version: mpich-1.2.6

I tested the same command on a linux-gentoo system with mpich-1.2.7 and
it worked perfectly.

I guess I should update the mpich first? This would be a lot of work
since It would mean updating SGE also. Any ideas for easier tests?

Thnx,
Abel

David van der Spoel wrote:
> abelius wrote:
>> Dear All,
>>
>> Does anyone have experience with running gromacs on a apple Xserve G5? A
>> simple install works fine but when I try to run mdrun on 2 processors
>> using mpi I get one process running at +/- 70% CPU and one remains at 0%
>> CPU.
>>
>> Does this sound familiar to anyone?
>>
>>
>> System:
>>     Xserve G5
>>     OsX 10.3.9
>>     Darwin Kernel Version 7.9.0
>>
>> Commmand:
>>     mpirun -np 2 <path>/mdrun_mpi -s topol_md.tpr -o traj_md.trr -c
>> md.pdb
>> -e ener_md.edr -np 2
>>
> which mpi library ?
> try a recent openmpi version.
> 

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