[gmx-users] MPI gromacs usage

[Mark Abraham]

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