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
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Received on Tue Jun 25 2013 - 00:30:03 PDT
