Re: [AMBER] GTX Titan was finally released

From: Scott Le Grand <varelse2005.gmail.com>
Date: Tue, 19 Feb 2013 13:27:38 -0800

One way to find out...


On Tue, Feb 19, 2013 at 11:59 AM, filip fratev <filipfratev.yahoo.com>wrote:

> Hi Ross, Scott and all,
>
> Yes.., this card looks to be awesome! I am really
> glad that all our predictions agree! I know that the DP is not so
> important in
> Amber now, but this is just an interesting fact:)
> If someone is able to get the card soon, please
> post some benchmark results here. I will try to get some of them asap too:)
>
> Ross and Scott, when you have time please
> comment this:
> I know that you're against any GPU's overclock,
> but with the current technology and in particular Titan we will have in
> fact
> two choices. First, if someone prefers to work in 1/3 DP mode he will be
> restricted to 837MHzby
> GPU itself, but if someone decides to use the 1/24 DP the card will
> automatically
> work at the boost speed level of 876Mhz. Moreover, the boost speed can be
> defined to be more than 900+Mhz. Thus
> we have different speeds using same card. Do you think that this wills
> affects
> much the calculations (not speed :) )?
>
> All the best,
> Filip
>
> ________________________________
> From: Scott Le Grand <varelse2005.gmail.com>
> To: AMBER Mailing List <amber.ambermd.org>
> Sent: Tuesday, February 19, 2013 9:08 PM
> Subject: Re: [AMBER] GTX Titan was finally released
>
> 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
> > >> _______________________________________________
> > >> AMBER mailing list
> > >> AMBER.ambermd.org
> > >> 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 - 13:30:03 PST
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