Re: [AMBER] issue using CUDA+MPI+OpenMP

From: David A Case <>
Date: Wed, 8 Jul 2015 18:26:49 -0600

On Thu, Jul 09, 2015, Éric Germaneau wrote:
> That really surprises me, multri-threading on CPU in never useless when
> using GPU since CPU is always highly solicited.

In pmemd.cuda, the CPU is not very busy (in spite of what some utility like
"top" might indicate.)

> Anyway I note that Amber doesn't support OpenMP.

Just to be clear; this is a correct statement for pmemd and pmemd.cuda,
not for things in AmberTools.


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Received on Wed Jul 08 2015 - 17:30:03 PDT
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