[gmx-users] MD workstation for Gromacs

[Carsten Kutzner]

Hi,

On 27 Oct 2014, at 07:11, Mohammad Hossein Borghei <mh.borghei at gmail.com> wrote:

> Thank you Szilárd,
> 
> So I would be really thankful if you could tell me which configuration is
> the best:
> 
> 2x GTX 980
> 2x GTX 780 Ti
> 2x GTX Titan Black
I would choose between the 980 and the 780Ti, which will give
you about the same performance. Buy whatever card you can get
for a cheaper price. The Titan Black will be too expensive in
relation to performance.

Carsten


 
> 
> Sincerely,
> 
> 
> 
> 
> Sent with MailTrack
> <https://mailtrack.io/install?source=signature&lang=en&referral=mh.borghei@gmail.com&idSignature=22>
> 
> On Mon, Oct 20, 2014 at 12:24 AM, Szilárd Páll <pall.szilard at gmail.com>
> wrote:
> 
>> Please send such questions/requests to the GROMACS users' list, I'm
>> replying there.
>> 
>> - For GROMACS 2x GTX 980 will be faster than one TITAN Z.
>> - Consider getting plain DIMMs instead of ECC registered;
>> - If you care about memory bandwidth, AFAIK you need 8 memory modules;
>> this will not matter for GROMACS simulations, but it could matter for
>> analysis or other memory-intensive operations;
>> 
>> --
>> Szilárd
>> 
>> 
>> ---------- Forwarded message ----------
>> From: Mohammad Hossein Borghei <mh.borghei at gmail.com>
>> Date: Sun, Oct 19, 2014 at 12:34 PM
>> Subject: MD workstation for Gromacs
>> To: pall.szilard at gmail.com
>> 
>> 
>> Dear Mr. Szilárd
>> 
>> I saw your comments in Gromacs mailing list and I thought you can answer
>> my question. I would be really thankful if you could tell me whether the
>> attached configurations are appropriate for GPU computing in Gromacs. Which
>> one is better? Can they be improved by not any increase in price?
>> 
>> Kind Regards,
>> 
>> --
>> Mohammad Hossein Borghei
>> 
>> 
>> 
>> 
>> Sent with MailTrack
>> <https://mailtrack.io/install?source=signature&lang=en&referral=mh.borghei@gmail.com&idSignature=22>
>> 
>> 
> 
> 
> -- 
> Mohammad Hossein Borghei
> -- 
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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