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

Elton Carvalho eltonfc at gmail.com
Wed Jul 29 22:25:44 CEST 2015

On Thu, Jun 25, 2015 at 7:39 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 6/25/15 2:46 PM, John Degenstein wrote:
>> I suppose in retrospect that I could simply use a single processor which I
>> think would reduce the number of DD cells and thus prevent this error.
> Or just use OpenMP parallelization.  Any time you drastically change the
> size of the system, this will be the case.

Is DD treated differently if you run MPI or OpenMP parallelization? If
so, how? I don't recall reading that in the docs and I always assumed
that DD worked distributing one domain per thread (be it OpenMP or

Elton Carvalho

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