On Wed, Oct 1, 2014 at 5:40 PM, Pappu Kumar <papu...@yahoo.com> wrote: > I am planning to buy 2x GTX 970 for 5820K overclocked to 4.5 GHz. I have > budget limitations and not able to afford workstations with 2x CPUs. Let me > know if you are aware of any cheaper alternative.
Sounds like a good investment! The only case where 2x970 could perform worse than a single 980 is if your input system is quite small and even that should change in future versions. > Also let me know if in future Gromacs could become more GPU intensive > allowing more GPUs with one CPU. Thank you. Certainly! The bonded interactions will certainly be offloaded in the near future! Cheers, -- Szilárd > > On Tuesday, 30 September 2014 5:18 PM, Szilárd Páll <pall.szil...@gmail.com> > wrote: > > > The 6-core Intel CPUs have only 28 PCI-E lanes rather than 40 like the > 5830K/5860X which means that with a second GPU you'll get x16/x8 and > with three GPUs x8/x8/x8. > > Also note that for the current GROMACS implementation, pairing a 5820K > with two 980s will likely give a rather imbalanced hardware setup - > with three 970s even more so (at least for common types of run > setups). Depending on the exact use case, you may be able to make good > use of 2-3 GPUs even with just a 5820K (e.g. in multi runs, one per > GPU) or setups with long cut-off (or without PME), but otherwise you > may not see much benefit from a second GPU, let alone a third. > > -- > Szilárd > > > On Mon, Sep 29, 2014 at 5:01 PM, Pappu Kumar <papu...@yahoo.com> wrote: >> Thank you for your info. I am planning to buy a computer with the >> following configuration: >> >> Intel 5820K >> Corsair H100i Hydro Cooling Performance >> MSI X99 SLI Plus >> Fractal Design R4 >> Seasonic X 1050W >> >> I am wondering if it would be a good idea to go for 3x GTX 970 instead of >> 2x GTX 980 since the cost is the same. Thank you. > >> -- >> 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.