[gmx-users] Gromacs on IBM clusters

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jul 13 04:17:47 CEST 2011

On 13/07/2011 2:21 AM, Justin A. Lemkul wrote:
> 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.

Some version of MPICH are unsuitable - particularly older ones, and 
1.2.7 is a few years old.


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