Hi all,
I'm having some trouble running simulations with increasing number of
CPUs. What parameters should I modify to make sure that the simulation
would run with a specific number of processors? Or, having access to a
large number of processors, how to select the number of CPUs to request?
Hi Pablo,
the tool g_tune_pme helps to find the optimum setting on a given
number of
processors. If you do not want to use the newest git version of
gromacs, there is also a version for gromacs 4.0.5 available here:
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