[gmx-users] run gromacs on a single machine with mutiple CPUs

Mark Abraham Mark.Abraham at anu.edu.au
Thu Dec 21 03:30:45 CET 2006

Seaclear Theory wrote:
> Hi! All,
> I have a linux server with 4 CPUs. How can I run gromacs on all CPUs?
> The gromacs manual has very limit information. And it does not works.

So which part of the manual section entitled "Running GROMACS in 
parallel" doesn't work?

> I installed Lam/mpi and compile gromacs with mpi. Thanks lot!

Have you read the man pages for grompp and mdrun closely?


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