Hi Ross,
thanks for your complex explanation !
I was really not aware of the fact that
the Teslas "profi-solutions" for
scientific calculations are slow because they
have to be green :))
But after all it also make some sense as they
are used for long times (week/s long calculation)
and moreover usually in big concentrations -> in
profi clusters ...
Regarding benchmarks of course that I am interested
about the results in explicit solvent and your prediction
of double speed of Titan over the GTX680 is just fine especially
if we consider $1000 price.
So thanks again !
Best wishes,
Marek
Dne Tue, 19 Feb 2013 18:58:54 +0100 Ross Walker <ross.rosswalker.co.uk>
napsal/-a:
> Hi Marek,
>
> You are comparing the 'wrong' thing. K20 / K20X are HPC cards, this means
> SLOWWWWWW (but green ;-) ). Thus you should really compare the K20X
> performance with the M2090 which is the other HPC card. So there you
> have:
>
> DHFR/NVE
>
> M2090 = 43.74 NS/day
> K20X = 89.13 ns/day
>
>
> So that's a more than doubling in performance which is pretty much in
> line
> with Moore's law.
>
> The GTX Titan you should compare against the GTX680 as they are both
> gaming cards. And thus FASSSTTTT (and hot!). There you'll be looking at
> 54.46ns/day and I expect about 115ns/day or so for the GTX Titan board so
> yeap pretty much Moore's law as well.
>
> So I am not sure what numbers you were looking at to say the performance
> difference was not big. Perhaps you looked at the TRPCage numbers which
> is
> the first plot on the page and GB? That won't tell you much since it is
> only 304 atoms! There you are pretty much at the parallel limit so it
> doesn't benefit from the extra cores in the new cards. I might move the
> implicit solvent benchmarks to the bottom of the page to avoid this
> confusing people. For comparison you should really look at the explicit
> solvent benchmarks on the amber page:
>
> http://ambermd.org/gpus/benchmarks.htm#Benchmarks
>
> With regards to your question about optimization for K20. There is
> potential for about another 30% performance improvement or so but this is
> quote a bit of work and has to be balanced against adding more features.
>
> All the best
> Ross
>
>
> On 2/19/13 8:55 AM, "Marek Maly" <marek.maly.ujep.cz> wrote:
>
>> Hi Filip and all,
>>
>> I just obtained offer to test K20 here:
>>
>> http://www.nvidia.co.uk/object/k20-gpu-test-drive-uk.html
>>
>> so it forced me to check actual Amber benchmarks where K20/K20x
>> results are already present so one may compare
>> their performance e.g. to GTX680.
>>
>> http://ambermd.org/gpus/benchmarks.htm
>>
>>
>> as anybody can see the increase of performance
>> is not so overwhelming.
>>
>> So in this context I do not understand Filip's
>>
>> "much much faster" .
>>
>> much much faster THAN WHAT ???
>>
>> Perhaps not than K20/K20x if yes why ?
>>
>> Anyway I would be grateful for any comments regarding so small
>> performance increase of the new architectures K20/K20x
>> comparing to GTX608.
>>
>> I am not sure but if I remember well there was some
>> opinions that the new Kepler will be about
>> 5x times faster (maybe not than GTX680 which is K104 based
>> but than fermi based GTX580 which is also not true)
>>
>> Is there problem, that the Amber code is still not fully
>> optimised for K20 and the actual patch 14 just allowed
>> to use Amber on these new generation GPUs but it will
>> need some more code improvements in order to use all
>> the advantages of the new Kepler architecture ?
>>
>>
>> Best wishes,
>>
>> Marek
>>
>>
>>
>>
>>
>>
>> Dne Tue, 19 Feb 2013 17:40:12 +0100 filip fratev <filipfratev.yahoo.com>
>> napsal/-a:
>>
>>> Hi Ross and all,
>>>
>>> After a lot of rumors the GTX Titan card was
>>> released today. For the first time on any consumer-level NVIDIA card,
>>> double precision (FP64)
>>> performance is uncapped. That means 1/3 FP32 performance, or
>>> roughly 1.3TFLOPS theoretical FP64 performance. Thus this card is very
>>> similar
>>> (same for Amber use) to Tesla K20x, but costs 1000$ and will be much
>>> much
>>> faster! I suppose that Titan will break the 100+ ns threshold on JAC
>>> test with
>>> Amber 12 and have no patience to see some test results!
>>> All the best,
>>> Filip
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
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Received on Tue Feb 19 2013 - 10:30:03 PST
