[gmx-users] GPU cards supported by Gromacs?

[Justin Lemkul]

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

-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
>>>> --
>>>> 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
>>>
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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
>>
>> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>>
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>>
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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

==================================================