[gmx-users] Gromacs on Xserver G5 /MPI

David van der Spoel spoel at xray.bmc.uu.se
Wed May 16 16:13:14 CEST 2007

abelius wrote:
> Hash: SHA1
> 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
MPI 1.x used to be bad together with gromacs. I don't know about this 
latest version, but mpich 2.x would be better.

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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