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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Received on Tue Jun 25 2013 - 09:30:04 PDT
