Re: [AMBER-Developers] any experience with BG-Q

From: Adrian Roitberg <roitberg.ufl.edu>
Date: Thu, 23 May 2013 10:17:18 -0400

Hi Dave

I believe the people at CINECA in Italy have benchmarked amber
(http://www.hpc.cineca.it/software/amber) but they do not listed the
results online. Email them.

I would be hard pressed to believe that a BG-Q is useful for Amber-style
calculations. It would be very hard to beat gpus timings for us at this
moment.

Adrian

On 5/23/13 10:13 AM, David A Case wrote:
> Does anyone have experience or info about BlueGene Q? Is it worth getting
> some benchmark numbers on? Does anyone have such info? Or suggestions? Is
> it a waste of time to explore this?
>
> ...thanks...dac
>
>
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-- 
                            Dr. Adrian E. Roitberg
                                  Professor
                Quantum Theory Project, Department of Chemistry
                            University of Florida
                              roitberg.ufl.edu
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Received on Thu May 23 2013 - 07:30:03 PDT
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