Florian Haberl wrote:
hi,
On Tuesday 18 July 2006 16:20, Diane Fournier wrote:
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 ?
One remark for sgi systems:
To get best performance of the shared memory system use mpi mpt (it s sgi
mpich version) to compile and run it.
Yeah, definitely for "my" Altix 3700 BX2.
Mark
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