Re: [AMBER] GTX 680 vs GTX Titan

From: Gould, Ian R <i.gould.imperial.ac.uk>
Date: Thu, 28 Feb 2013 13:40:59 +0000

Hi Jason,

Not sure myself, took the tarball of the GPU benchmarks off the web this
morning, edited the run script but have just checked and those numbers are
for running in the correct directories. Cards are currently running
production jobs but when I have one spare I'll rerun to see if this is an
anomaly or is real. Anyway upshot is that the TITAN is a mighty fast card,
I don't bother with overclocking myself, another nice observation is that
the temp of the cards seem to be pretty constant at 77C under constant
load. Also the cards are heavy, guess this is the engineering of the
thermal solution, we are talking ~2.6 Kg/ 5.75 lbs a card.

Cheers
Ian


Women love us for our defects. If we have enough of them, they will
forgive us everything, even our intellects.
Oscar Wilde, 
-- 
Dr Ian R Gould, FRSC.
Reader in Computational Chemical Biology
Department of Chemistry
Imperial College London
Exhibition Road
London
SW7 2AY
E-mail i.gould.imperial.ac.uk
http://www3.imperial.ac.uk/people/i.gould
Tel +44 (0)207 594 5809
On 28/02/2013 13:29, "Jason Swails" <jason.swails.gmail.com> wrote:
>On Thu, Feb 28, 2013 at 5:49 AM, Gould, Ian R
><i.gould.imperial.ac.uk>wrote:
>
>> Dear All,
>>
>> Santa has arrived early for us and we have a couple of GTX titans in the
>> lab. So here are the GPU benchmark results:
>>
>>
>> JAC_PRODUCTION_NVE - 23,558 atoms PME
>> -------------------------------------
>> 1 x TITAN GTX:          ns/day =     107.76   seconds/ns =     801.78
>>
>> JAC_PRODUCTION_NPT - 23,558 atoms PME
>> -------------------------------------
>> 1 x TITAN GTX:          ns/day =     111.34   seconds/ns =     775.99
>>
>
>NPT is faster than NVE??  How did this happen?  NPT actually seems to make
>a pretty substantial hit in my experience, somewhere in the neighborhood
>of
>15-20% performance reduction compared to NVT with the same thermostat
>(which is what you see in the later tests).
>
>Any ideas how this would happen?
>
>-- 
>Jason M. Swails
>Quantum Theory Project,
>University of Florida
>Ph.D. Candidate
>352-392-4032
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Received on Thu Feb 28 2013 - 06:00:04 PST
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