[gmx-users] Building a Larger Liquid Phase - Truncate 'Vacuum'

Elton Carvalho 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.

Thanks, Justin,

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

Elton Carvalho

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