> Date: Thu, 24 Jan 2013 15:55:13 +0100 > From: Szil?rd P?ll <szilard.p...@cbr.su.se> > Subject: Re: [gmx-users] Problem with gromacs-4.6 compilation on > Debian > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: > <CANnYEw7Q3U_8aMyY=bzds0vveb_dg7fvc+pbkacoph8jzm4...@mail.gmail.com> > Content-Type: text/plain; charset=ISO-8859-1 > > Let me add two more things. > > Note that we *always* compare performance and acceleration to our > super-tuned state-of-the-art CPU code, which I can confidently say that is > among the fastest if not the fastest to date, and never to some slow (CPU) > implementation. Therefore, while other codes might be able to get 10-20x > with GPUs and many x-es even with pre-Fermi (CC <2.0) cards, for obvious > reasons we simply can't. Always check the following 10 points before believing the speed-up of any code: <http://www.hpcwire.com/hpcwire/2011-12-13/ten_ways_to_fool_the_masses_when_giving_performance_results_on_gpus.html>
And Gromacs does a pretty fair comparison. > > Still you'll get high *absolute performance* regardless whether you can use > CPU only or CPU+GPU, so this should be a decent deal, right? > > If anybody volunteers to add software-based floating point atomic > operations for CC <2.0 and try running the current kernels on earlier > hardware, I'm willing to give pointers, but I simply had no time to try it > myself. This would enable using earlier cards, with a considerable > performance penalty of emulated atomic ops (plus these cards are anyway > slower), but it *might* be worth a try! > > Feel free to drop me a mail if anybody is interested. > > Cheers, > > -- > Szilárd > > > On Thu, Jan 24, 2013 at 3:48 PM, Szilárd Páll <szilard.p...@cbr.su.se>wrote: > >> On Thu, Jan 24, 2013 at 3:28 PM, Justin Lemkul <jalem...@vt.edu> wrote: >> >>> >>> >>> On 1/24/13 9:23 AM, James Starlight wrote: >>> >>>> oh that was simply solved by upgrading of G++ :) >>>> >>>> the only problem which remains is the missing of support of mu GPU :( >>>> That time I've tried to start simulation on simply 2 cores CPU + geforce >>>> 9500 >>>> >>>> From md run I've obtained >>>>> >>>> >>>> NOTE: Error occurred during GPU detection: >>>> CUDA driver version is insufficient for CUDA runtime version >>>> Can not use GPU acceleration, will fall back to CPU kernels. >>>> >>>> ED sampling will be performed! >>>> ED: Reading edi file new_a2a_pca_biased.edi >>>> ED: Note: Reference and average structure are composed of the same atom >>>> indices. >>>> ED: Found 1 ED group. >>>> Using 1 MPI thread >>>> Using 2 OpenMP threads >>>> >>>> No GPUs detected >>>> >>>> >>>> I've installed cuda-5.0 with driver >>>> NVRM version: NVIDIA UNIX x86_64 Kernel Module 304.54 Sat Sep 29 >>>> 00:05:49 PDT 2012 >>>> >>>> that system works fine with the recent nvidia GPU's but has no support >>>> for GeForce 9500. >>>> >>>> >>> GeForce 9500 cards have a compute capability of 1.1. The minimum >>> required for Gromacs is 2.0 (noted in the installation instructions). >> >> >> Exactly! Anything below CC 2.0 lacks certain features that make those >> devices rather slow for our algorithms and therefore pretty much >> impractical. >> >> Cheers, >> -- >> Szilárd >> >> >> >> >> >>> >>> >>> -Justin >>> >>> -- >>> ==============================**========== >>> >>> Justin A. Lemkul, Ph.D. >>> Research Scientist >>> Department of Biochemistry >>> Virginia Tech >>> Blacksburg, VA >>> jalemkul[at]vt.edu | (540) 231-9080 >>> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> >>> >>> ==============================**========== >>> >>> -- >>> gmx-users mailing list gmx-users@gromacs.org >>> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> >>> * Please search the archive at http://www.gromacs.org/** >>> Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before >>> posting! >>> * Please don't post (un)subscribe requests to the list. Use the www >>> interface or send it to gmx-users-requ...@gromacs.org. >>> * Can't post? Read >>> http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >>> >> >> > > > ------------------------------ > > -- > gmx-users mailing list > gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > > End of gmx-users Digest, Vol 105, Issue 119 > ******************************************* -- Christoph Junghans Web: http://www.compphys.de -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
