[gmx-users] GXT690 vs GTX Titan black

Szilárd Páll pall.szilard at gmail.com
Tue Dec 16 17:07:05 CET 2014


On Tue, Dec 16, 2014 at 12:56 PM, Carsten Kutzner <ckutzne at gwdg.de> wrote:
>
> On 16 Dec 2014, at 12:21, Szilárd Páll <pall.szilard at gmail.com> wrote:
>
>> On Tue, Dec 16, 2014 at 12:15 PM, Albert <mailmd2011 at gmail.com> wrote:
>>> On 12/16/2014 10:07 AM, Mirco Wahab wrote:
>>>>
>>>> What CPU(s) does each workstation going to have?
>>>
>>>
>>>
>>> I am going to use 2 x E5-2680 v3 (30M Cache, 2.50 GHz)
>>
>> GTX 980s is what I suggest and three of them should work well in that
>> setup, those CPUs are pretty good.
> Note, however, that three need not necessarily be much faster than
> two in that setup. I only see a performance increase by 5 % when adding
> a third GPU to a node with 2 x E5-2680v2 plus 2 x GTX 980.

Sure, if the run becomes CPU+load imbalance limited that can happen
and what I keep forgetting is that that Intel's nasty marketing trick
with AVX vs non-AVX clocks means that the E5-2680 v3 will effectively
run at 2.1 GHz not 2.5 GHz.

Albert, you could try to get access to a GPU machine and run some
tests before buying to see whether it makes sense to use three GPUs -
some companies offer free testing time on their servers.

Cheers,
--
Szilárd

> Carsten
>
>
>>
>> --
>> Szilárd
>>
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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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