[gmx-users] GPU cards supported by Gromacs?

Jian Yin janeyin600 at gmail.com
Wed Nov 5 00:20:51 CET 2014


Thanks Carsten! But as far as I know the 780Ti cards are known to have
issues with reproducibility. Not sure if the 980s have been well tested.
Much appreciated if anyone could provide such information about how
reliable the 980s are.

Best,

Jane

On Tue, Nov 4, 2014 at 1:36 PM, Carsten Kutzner <ckutzne at gwdg.de> wrote:

> Hi,
>
> On 04 Nov 2014, at 22:33, Jian Yin <janeyin600 at gmail.com> wrote:
>
> > Hi there!
> >
> > I just wonder what is the fastest GPU cards supported by Gromacs so far,
> The NVIDIA GTX 780Ti and 980 will give you a lot of performance
> for your money.
>
> Carsten
>
> > and are there any hardware level inducing bugs we need to be aware of.
> >
> > Best,
> >
> > Jane
> >
> > --
> > Dr. Jane Yin
> > Postdoctoral Researcher
> > 3105 Gilson Lab Office
> > Skaggs School of Pharmacy and
> > Pharmaceutical Sciences, UCSD
> > 9500 Gilman Dr., La Jolla, CA 92093-0736
> > --
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> --
> Dr. Carsten Kutzner
> Max Planck Institute for Biophysical Chemistry
> Theoretical and Computational Biophysics
> Am Fassberg 11, 37077 Goettingen, Germany
> Tel. +49-551-2012313, Fax: +49-551-2012302
> http://www.mpibpc.mpg.de/grubmueller/kutzner
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>
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-- 
Dr. Jane Yin
Postdoctoral Researcher
3105 Gilson Lab Office
Skaggs School of Pharmacy and
Pharmaceutical Sciences, UCSD
9500 Gilman Dr., La Jolla, CA 92093-0736


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