[gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum'
eltonfc at gmail.com
Thu Jul 30 21:15:16 CEST 2015
On Thu, Jul 30, 2015 at 1:34 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> There are as many DD cells as there are (thread-)MPI processes. These can
> be further subdivided into multiple OpenMP threads. What I was talking
> about above is the use of only OpenMP, e.g.
> mdrun -ntmpi 1 -nt X
> There is no use of DD in this case.
If there's no DD if only OpenMP threads are used, how is the load
distributed among the threads? Particle decomposition? If I issue the
option -dd X Y Z will it be ignored if there's one oen (thread-)MPI
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