[gmx-users] REMD multi core for each replica
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.
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