Cheers Ross! :)
On 25 June 2013 17:26, Ross Walker <ross.rosswalker.co.uk> wrote:
> This is research - there is not such thing as 'fully finished' ;-) But I
> expect us to have tried all the pathological test cases we have by the end
> of the week.
>
> All the best
> Ross
>
>
>
> On 6/25/13 12:28 AM, "ET" <sketchfoot.gmail.com> wrote:
>
> >Cheers for the info Ross. Do you have an idea, when the testing will be
> >fully finished?
> >
> >br,
> >g
> >
> >
> >On 24 June 2013 22:23, Ross Walker <ross.rosswalker.co.uk> wrote:
> >
> >> Dear All,
> >>
> >> For those who are interested our provisional tests (Cellulose NPT,
> >> FactorIX NVE) are NOT showing problems on GTX780s like they do on the
> >> GTX-Titan cards. We are still testing things, including multi-GPU so
> >>this
> >> is only provisional at this point. We will provide an update once we
> >>have
> >> conducted more in-depth testing but for now at least things are looking
> >> positive.
> >>
> >> The following are some provisional benchmark numbers for AMBER 12 (GPU
> >> v12.3 - bug fix 18) on the 4 x GTX780 Exxact Test Drive Machine - See
> >>the
> >> following page for specs on this machine
> >> (http://ambermd.org/gpus/recommended_hardware.htm#exxact_machines)
> which
> >> is the same as the GTX680 workstation but with GTX780 cards.
> >>
> >> JAC_PRODUCTION_NVE - 23,558 atoms PME
> >> -------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 13.73 seconds/ns =
> >>6293.07
> >> 1 x GTX780: | ns/day = 98.96 seconds/ns =
> >>873.12
> >> 2 x GTX780: | ns/day = 105.21 seconds/ns =
> >>821.18
> >> 3 x GTX780: | ns/day = 116.51 seconds/ns =
> >>741.55
> >> 4 x GTX780: | ns/day = 135.81 seconds/ns =
> >>636.16
> >>
> >> JAC_PRODUCTION_NPT - 23,558 atoms PME
> >> -------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 11.53 seconds/ns =
> >>7491.94
> >> 1 x GTX780: | ns/day = 77.11 seconds/ns =
> >>1120.45
> >> 2 x GTX780: | ns/day = 83.18 seconds/ns =
> >>1038.74
> >> 3 x GTX780: | ns/day = 98.84 seconds/ns =
> >>874.12
> >> 4 x GTX780: | ns/day = 110.95 seconds/ns =
> >>778.76
> >>
> >> FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME
> >> -------------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 3.81 seconds/ns =
> >>22670.04
> >> 1 x GTX780: | ns/day = 28.82 seconds/ns =
> >>2998.01
> >> 2 x GTX780: | ns/day = 33.42 seconds/ns =
> >>2585.47
> >> 3 x GTX780: | ns/day = 38.67 seconds/ns =
> >>2234.55
> >> 4 x GTX780: | ns/day = 44.32 seconds/ns =
> >>1949.54
> >>
> >> FACTOR_IX_PRODUCTION_NPT - 90,906 atoms PME
> >> -------------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 3.18 seconds/ns =
> >>27175.15
> >> 1 x GTX780: | ns/day = 23.22 seconds/ns =
> >>3720.92
> >> 2 x GTX780: | ns/day = 28.15 seconds/ns =
> >>3068.77
> >> 3 x GTX780: | ns/day = 31.58 seconds/ns =
> >>2735.63
> >> 4 x GTX780: | ns/day = 38.26 seconds/ns =
> >>2258.34
> >>
> >> CELLULOSE_PRODUCTION_NVE - 408,609 atoms PME
> >> --------------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 0.86 seconds/ns =
> >> 100654.62
> >> 1 x GTX780: | ns/day = 6.47 seconds/ns =
> >> 13360.72
> >> 2 x GTX780: | ns/day = 7.34 seconds/ns =
> >> 11763.50
> >> 3 x GTX780: | ns/day = 8.50 seconds/ns =
> >> 10164.60
> >> 4 x GTX780: | ns/day = 9.57 seconds/ns =
> >>9027.83
> >>
> >> CELLULOSE_PRODUCTION_NPT - 408,609 atoms PME
> >> --------------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 0.69 seconds/ns =
> >> 125740.42
> >> 1 x GTX780: | ns/day = 5.34 seconds/ns =
> >>16177.63
> >> 2 x GTX780: | ns/day = 6.24 seconds/ns =
> >> 13843.73
> >> 3 x GTX780: | ns/day = 7.37 seconds/ns =
> >> 11726.06
> >> 4 x GTX780: | ns/day = 8.25 seconds/ns =
> >> 10477.60
> >>
> >> TRPCAGE_PRODUCTION - 304 atoms GB
> >> ---------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 168.55 seconds/ns =
> >>512.62
> >> 1 x GTX780: | ns/day = 676.35 seconds/ns =
> >>127.74
> >> 2 x GTX780: N/A
> >> 3 x GTX780: N/A
> >> 4 x GTX780: N/A
> >>
> >> MYOGLOBIN_PRODUCTION - 2,492 atoms GB
> >> -------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 5.50 seconds/ns =
> >> 15718.91
> >> 1 x GTX780: | ns/day = 175.66 seconds/ns =
> >>491.87
> >> 2 x GTX780: | ns/day = 183.86 seconds/ns =
> >>469.93
> >> 3 x GTX780: | ns/day = 199.55 seconds/ns =
> >>432.98
> >> 4 x GTX780: | ns/day = 188.26 seconds/ns =
> >>458.95
> >>
> >> NUCLEOSOME_PRODUCTION - 25,095 atoms GB
> >> ---------------------------------------
> >>
> >> CPU code 16 cores: | ns/day = 0.06 seconds/ns =
> >> 1417049.08
> >> 1 x GTX780: | ns/day = 3.19 seconds/ns =
> >>27126.35
> >> 2 x GTX780: | ns/day = 4.11 seconds/ns =
> >>21004.39
> >> 3 x GTX780: | ns/day = 5.33 seconds/ns =
> >>16214.22
> >> 4 x GTX780: | ns/day = 6.72 seconds/ns =
> >>12857.94
> >>
> >>
> >>
> >>
> >> All the best
> >> Ross
> >>
> >> /\
> >> \/
> >> |\oss Walker
> >>
> >> ---------------------------------------------------------
> >> | Associate Research Professor |
> >> | San Diego Supercomputer Center |
> >> | Adjunct Associate Professor |
> >> | Dept. of Chemistry and Biochemistry |
> >> | University of California San Diego |
> >> | NVIDIA Fellow |
> >> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
> >> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> >> ---------------------------------------------------------
> >>
> >> Note: Electronic Mail is not secure, has no guarantee of delivery, may
> >>not
> >> be read every day, and should not be used for urgent or sensitive
> >>issues.
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >> _______________________________________________
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> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
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Received on Tue Jun 25 2013 - 11:00:04 PDT
