[gmx-users] REMD multi core for each replica

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 10 11:34:31 CEST 2011

On 10/05/2011 5:36 PM, SebastianWaltz wrote:
> Dear GROMACS users,
> I wonder if it is not possible to use more than 1 core (according to the
> manual) for each replica using GROMACS 4.0.x?

You can use more than one core per replica  from 4.0 onwards.

> In the manual is written that the number of cores defined by the -np
> option of mpirun has to be the same as the number of replicas.

What text makes you think this? I can't see any, but if there is, it 
should be fixed.


More information about the gromacs.org_gmx-users mailing list