[gmx-users] RE: Gromacs on GPU: GTX or Tesla?

Efrat Exlrod Efrat.Exlrod at biu.ac.il
Sun Aug 7 11:54:13 CEST 2011

Hi Szilard,

Thank you very much for your input.

At the moment we want to buy a single card (GTX-580?) in order to gain experience in working with GPUs. In the future we will probably like to have a cluster, especially when multiple GPU cards will be supported by Gromacs.

Thanks, Efrat

Date: Thu, 4 Aug 2011 21:41:29 +0200
From: Szil?rd P?ll <szilard.pall at cbr.su.se>
Subject: Re: [gmx-users] RE: Gromacs on GPU: GTX or Tesla?
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
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Tesla cards won't give you much benefit when it comes to running the
current Gromacs. Additionally, I can tell you so much that this won't
change in the future either. The only advantage of the C20x0-s is ECC
and double precision - which is ATM anyway not supported in Gromacs on

Gromacs in general doesn't use much memory so unless you will want to
run gigantic systems with a single card, C2070 will not give you any
added benefit at all, in fact 1-1.5GB/card should be more than enough.

What kind of machine are you planning to buy/how many GPUs?


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