[gmx-users] Gromacs on Xserver G5 /MPI

[David van der Spoel]

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.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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