Re: [AMBER] GTX Titan was finally released

From: Ross Walker <ross.rosswalker.co.uk>
Date: Tue, 19 Feb 2013 11:24:54 -0800

Ugh yes, read the 580 line on the plot by mistake. Neeeeddd morreee
sleeepppp :-(


On 2/19/13 11:08 AM, "Scott Le Grand" <varelse2005.gmail.com> wrote:

>GTX 680 is ~75 ns/day (though my 32-bit linux system has seen 77 now and
>then)...
>
>I expect 115-120 for GTX Titan...
>
>GTX690 is your throughput bargain while the Titan is just frickin'
>awesome...
>
>
>
>On Tue, Feb 19, 2013 at 9:58 AM, Ross Walker <ross.rosswalker.co.uk>
>wrote:
>
>> 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
>> >> _______________________________________________
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>> >> http://lists.ambermd.org/mailman/listinfo/amber
>> >
>> >
>> >--
>> >Tato zpráva byla vytvořena převratným poštovním klientem Opery:
>> >http://www.opera.com/mail/
>> >
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Received on Tue Feb 19 2013 - 11:30:03 PST
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