[gmx-users] REMD problem

Manuel Prinz manuel at pinguinkiste.de
Thu Sep 29 13:23:08 CEST 2011

Am Do, 29.09.2011, 01:38 schrieb Mark Abraham:
> If the MPI configuration allows physical processors to be
> over-allocated, then GROMACS is none the wiser.

Over-allocation is the default in Open MPI[1]. So it's technically
possible to run 50 MPI processes on 2 cores. Whether or not this is a good
idea is left on as an exercise to the reader. ;)

Best regards,

[1] When not run from a resource manager that takes care of setting the
"right" configuration options.

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