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.
Mark
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