[gmx-users] MPI gromacs usage
diane.fournier at crchul.ulaval.ca
Tue Jul 18 16:20:28 CEST 2006
Hi gromacs users
I've already used gromacs single-processor version and I want to use the parallel version of gromacs on a SGI Altix 2700 with 32 processors. I'm wondering how to proceed, because this does not seem to be explained properly anywhere. Do I have to give special instructions in grompp to split the simulation on several processors, or can I use the same .tpr file I'm using with the single-processor version of mdrun ?
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