Hi, I'd recommend the Quadro P6000 or Tesla P40. These are the large chips equivalent with the TITAN X Pascal with high single precision throughput, slightly faster than the P100.
The P5000 is not bad, but it's slower. It has a chip similar to the 1080 (not sure about the clocks, those might be lower; FYI the 1080 is ~30-35% slower than the TITAN X-P IIRC). I'd rule out K40s real quick, they're 2-gen older than Pascal, power hogs with at least 2-3x lower performance than either of the Pascals. Cheers, -- Szilárd PS: I assume you have considered buying 1080 or 1080Ti cards. You can get 2-3 of them for the price of a P5000. On Thu, Mar 9, 2017 at 11:58 AM, Téletchéa Stéphane <[email protected]> wrote: > Dear colleagues, > > We are willing to invest on nodes for GROMACS-specific calculations, and > trying to best the best for our bucks (as everyone). > > For now our decisions comes close to nodes using the following > configuration: > > 2 * Xeon E5-2630 v4 > 1 P100 or 2 * P5000 or 2 * K40 > Cluster node interconnection: Intel OmniPath > > Our system will will range from 50k to 200k atoms most of the time, using > AMBER-99SB-ILDn, GROMCAS 2016.1 and above. > > I am aware of various benchmark and recommandations like "Best Bang for your > Bucks", but is there any reference (internal may be) for latest Pascal > architecture, or any general advice against/for ? > > Thanks a lot in advance for the feedback, if we are able to benchmark on our > systems using the different setups above we'll share as possible by the > upstream vendor the results. > > Stéphane > > -- > Assistant Professor in BioInformatics, UFIP, UMR 6286 CNRS, Team Protein > Design In Silico > UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322 Nantes > cedex 03, France > Tél : +33 251 125 636 / Fax : +33 251 125 632 > http://www.ufip.univ-nantes.fr/ - http://www.steletch.org > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
