Correction
Have just checked the runjob script and I have overzealously commented out
one of the CD's so it ran NVE twice, best Homer DOOOOHHHHHH
JAC_PRODUCTION_NVE - 23,558 atoms PME
-------------------------------------
1 x TITAN GTX: ns/day = 111.34 seconds/ns = 775.99
1 x TITAN GTX: ns/day = 107.76 seconds/ns = 801.78
JAC_PRODUCTION_NPT - 23,558 atoms PME
-------------------------------------
Will have to re-run
FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME
-------------------------------------------
1 x TITAN GTX: ns/day = 32.54 seconds/ns = 2655.14
FACTOR_IX_PRODUCTION_NPT - 90,906 atoms PME
-------------------------------------------
1 x TITAN GTX: ns/day = 26.20 seconds/ns = 3297.82
CELLULOSE_PRODUCTION_NVE - 408,609 atoms PME
--------------------------------------------
1 x TITAN GTX: ns/day = 7.85 seconds/ns = 11011.91
CELLULOSE_PRODUCTION_NPT - 408,609 atoms PME
--------------------------------------------
1 x TITAN GTX: ns/day = 6.50 seconds/ns = 13290.12
TRPCAGE_PRODUCTION - 304 atoms GB
---------------------------------
1 x TITAN GTX: ns/day = 637.66 seconds/ns = 135.50
MYOGLOBIN_PRODUCTION - 2,492 atoms GB
-------------------------------------
1 x TITAN GTX: ns/day = 211.49 seconds/ns = 408.53
NUCLEOSOME_PRODUCTION - 25,095 atoms GB
---------------------------------------
1 x TITAN GTX: ns/day = 3.90 seconds/ns = 22172.74
On 28/02/2013 13:40, "Gould, Ian R" <i.gould.imperial.ac.uk> wrote:
>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 - 06:00:05 PST
