wow, those are some pretty fantastic numbers! Second the thanks for
posting this!
On Thu, Feb 28, 2013 at 11:09 AM, filip fratev <filipfratev.yahoo.com>wrote:
> Dear Ian,
>
> REALY thank you for these benchmarks!!! Also
> thanks for the information about the Titan's temperatures, which confirms
> my
> earlier thoughts.
>
> I am looking forward for your final test
> results!
>
> All the best,
> Filip
>
>
> ________________________________
> From: "Gould, Ian R" <i.gould.imperial.ac.uk>
> To: AMBER Mailing List <amber.ambermd.org>
> Sent: Thursday, February 28, 2013 3:52 PM
> Subject: Re: [AMBER] GTX 680 vs GTX Titan
>
> 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
> >>_______________________________________________
> >>AMBER mailing list
> >>AMBER.ambermd.org
> >>http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
> >_______________________________________________
> >AMBER mailing list
> >AMBER.ambermd.org
> >http://lists.ambermd.org/mailman/listinfo/amber
>
>
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--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Thu Feb 28 2013 - 08:30:05 PST
