[gmx-users] Gromacs on IBM clusters

Justin A. Lemkul jalemkul at vt.edu
Tue Jul 12 18:21:46 CEST 2011

Kavyashree M wrote:
> Dear users,
> I was trying to run gromacs-4.5.3 in IBMcluster using mpich-1.2.7
> rather than openmpi. But I was getting some error. Sorry I donot
> remember the error. But Is it possible to run gromacs-4.5.3 using
> mpich implementation?

Probably, but without an actual error message and a complete description 
(including commands - configuration? compilation? running mdrun?) of what you 
were doing when the error occurred, you're not going to get any useful assistance.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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