If price does not matter, get V100s; if it matters somewhat get TITAN-V's. Same applies if you want best performance per simulation. If you want best perf/buck, the 1080 Ti is still better investment (or you could wait an see if the next-gen consumer cards come out soon).
-- Szilárd On Tue, Jul 10, 2018 at 4:12 PM malkeet singh Bahia <msbahi...@gmail.com> wrote: > Hello Developers! > Hope you are doing well! > > We are interested in buying new GPU card for simulating relatively big > protein systems (more than 300K atoms) using GROMACS latest version. > Currently, we have one P100 card (with 16 "real" cpu cores) that provides a > good speed of around 10 ns/day for that system size. > We were wondering if there is any recommendation/experience with other > cards that will speed up the simulation time. Specifically, V100 PCIE, > TITAN-V ,or GTX-1080TI. > > Many thanks, > > Malkeet > -- > Thanks & Warm Regards > > > Malkeet S. Bahia, PhD > Post Doctoral Fellow at the lab of Prof. Hanoch Senderowitz > PBC Indo-Israel Post-doc fellowship > Dept. of Chemistry, Building 211, Room no. 211 > Bar Ilan University, Ramat Gan, 5290002, ISRAEL > > Mobile: +91-9815988501 (India, watts app only) > +972-584553434 (Israel number) > -- > 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 gmx-users-requ...@gromacs.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 gmx-users-requ...@gromacs.org.
