Seaclear Theory wrote:
On 12/20/06, *Mark Abraham* <[EMAIL PROTECTED]
<mailto:[EMAIL PROTECTED]>> wrote:
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?
What I want is to run gromacs on a signle machine with multiple
processors.
In "A.5 Running GROMACS in parallel"
"If you have a single machine with multiple processors you don't have to
use the mpirun command,
but you can do with an extra option to mdrun:
% mdrun -np 8 -s topol -v -N 8
In this example MPI reads the first option from the command line. Since
mdrun also wants to
know the number of processes you have to type it twice."
So what does it say? Should you be using mdrun_mpi? How about using a
mpirun command anyway...
If you want meaningful feedback you need to describe your setup
thoroughly, say what you've tried and why that didn't work and why the
error messages didn't help you. Otherwise, you need to pay someone for a
support contract :-) I'll help solve problems, but I won't help if you
don't give the impression you're helping yourself too!
Mark
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