Hi Filip,
It's certainly true that the nVidia tools for linux have been extremely
poor compared with their windows counterparts, which is probably just
because of the gaming community in windows.
I know that there isn't an easy way to overclock the GPU in linux. The
current tools in Linux will allow some settings to be changed which
includes manually setting the fan speed, but I think if you want to
overclock, you need to flash the new card setting to the actual card in
windows first and then reboot in linux with those defaults on the card.
I'm wondering if anyone has tried the opposite of cygwin, that is, can the
Windows nVidia tools be run using Wine or other related things? One option
might even be to run a Virtual Box of windows, and see if you could change
the card settings from there. Obviously the Virtual box is a bit resource
taxing, but you only need one CPU core per GPU, so from that perspective it
might be fine.
I'd love to hear what your experiences are one you get one of these. I do
a lot of GPU stuff, but absolutely abhor Windows.
~Aron
On Fri, Feb 22, 2013 at 8:28 PM, filip fratev <filipfratev.yahoo.com> wrote:
> Hi Ross, Scott and all,
>
> As you know I plan to purchase few GTX Titans:)
> but I am not sure actually at what speed they will run: 836, 876 or 993
> Mhz?
> It seems that by default (80C target) the Titan
> runs under Windows only on the maximal core speed (around 1Ghz) not the
> boost
> one. It goes back to 836 only if the temperature rises above 80C but with
> 100%
> fan speed this looks almost impossible. At least this is what I saw from
> the
> reviews.
>
> I was also horrified to see that many GTX680
> (and other cards) users complain that under Linux their cards run at only
> about
> 700Mhz core speed instead of 1Ghz. What is your experience with GTX 680?
> I was also wondering whether the GTX680 use the
> boost clock during the Amber calculations or the just the base one?
>
> Finally, what is the performance difference of
> pmemdCuda under Linux and Cygwin?
>
> All the best,
> Filip
>
>
> ________________________________
> From: Scott Le Grand <varelse2005.gmail.com>
> To: filip fratev <filipfratev.yahoo.com>; AMBER Mailing List <
> amber.ambermd.org>
> Sent: Tuesday, February 19, 2013 11:27 PM
> Subject: Re: [AMBER] GTX Titan was finally released
>
>
> 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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> >> >AMBER.ambermd.org
> >> >http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
> >>
> >> _______________________________________________
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> >>
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--
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Fri Feb 22 2013 - 20:30:02 PST
