Re: [AMBER] openmp on 64core/AMD vs MPI over IB on multiple nodes

From: harry mangalam <harry.mangalam.uci.edu>
Date: Wed, 25 Sep 2013 14:04:17 -0700

thanks very much for this info. As an amber novice, this kind of received
knowledge is very useful.

hjm

On Wednesday, September 25, 2013 04:19:07 PM Jason Swails wrote:
> On Wed, Sep 25, 2013 at 3:42 PM, harry mangalam
<harry.mangalam.uci.edu>wrote:
> > Is there a general agreement on which is the better approach?
>
> With Amber you have no choice. There is very little OpenMP in Amber 11 and
> the main simulation engines exclusively use MPI (in all versions). It
> still operates on shared memory machines, but unless the MPI implementation
> is _very_ clever and aggressively optimizes, each thread will have its own
> memory space.

<deletia>

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Received on Wed Sep 25 2013 - 14:30:03 PDT
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