[gmx-users] Gromacs on Xserver G5 /MPI

[David van der Spoel]

abelius wrote:
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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
> 
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.
________________________________________________________________________
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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