Hi Michael,
I will be posting soon the specific model of GTX780 we have validated and the advice for now will be to use that model and that model ONLY until we have had a chance to validate other versions of the hardware.
Hopefully I can post the details later today.
All the best
Ross
On Jun 26, 2013, at 12:38, Michael Lerner <mglerner.gmail.com> wrote:
> Dear all,
>
> After seeing these numbers, I'm considering buying a couple GTX780s after
> the next set of tests are finished. There are several different models,
> many of which are superclocked. Do superclocked cards cause trouble for
> scientific calculations when compared to normal cards?
>
> Thanks,
> -Michael
>
>
>
> On Tue, Jun 25, 2013 at 1:56 PM, ET <sketchfoot.gmail.com> wrote:
>
>> 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.
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> AMBER mailing list
>>>>> AMBER.ambermd.org
>>>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>>>
>>>> _______________________________________________
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>>>
>>>
>>>
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>>>
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>>
>
>
>
> --
> Michael Lerner
> Department of Physics and Astronomy
> Earlham College - Drawer 111
> 801 National Road West
> Richmond, IN 47374-4095
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Received on Wed Jun 26 2013 - 13:00:03 PDT
