[gmx-users] GPU cards supported by Gromacs?

[Szilárd Páll]

On Wed, Nov 5, 2014 at 1:32 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 11/5/14 3:02 AM, Carsten Kutzner wrote:
>>
>>
>> On 05 Nov 2014, at 00:20, Jian Yin <janeyin600 at gmail.com> wrote:
>>
>>> Thanks Carsten! But as far as I know the 780Ti cards are known to have
>>> issues with reproducibility.
>>
>> Really? Never had problems with these cards.
>> What kind of issues do you mean?
>>
>
> Saw this a little while back from the AMBER team:
>
> http://archive.ambermd.org/201406/0289.html

See my reply in another thread:
http://permalink.gmane.org/gmane.science.biology.gromacs.user/72883

If there are 780 Ti users out there who want to do a bit of testing,
some extended memtest runs that exercise the GPU memory could be used
to detect the issue the AMBER developers mention. However without
proof of actual data corruption with GROMACS, I'd still not flag 780
Ti's as bad GPUs.

--
Szilárd

> -Justin
>
>
>> Carsten
>>
>>> 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
>>>> http://www.mpibpc.mpg.de/grubmueller/sppexa
>>>>
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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
>>> --
>>> Gromacs Users mailing list
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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
>> http://www.mpibpc.mpg.de/grubmueller/sppexa
>>
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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