I strongly suggest that you consider the single-chip GTX cards instead of a dual-chip one; from the point of view of price/performance you'll probably get the most from a 680 or 780.
You could ask why, so here are the reasons: - The current parallelization scheme requires domain-decomposition to use more than one GPU and the overhead of domain-decomposition is quite high, so you typically get only 1.5-1.7x when going from one to two domains (=GPUs, but you'll see that same with running CPUs only as well); - GROMACS uses the GPU as a coprocessor and needs to transfer coordinates to the GPU and forces back; if your PCI-E is shared by two GPUs which will inherently try to transfer at the same time, you'll the overhead of transferring will get rather high (15% or more). Cheers, -- Szilárd On Sat, Jun 22, 2013 at 5:31 PM, Mare Libero <marelibe...@yahoo.com> wrote: > Hello, > > I am assembling a GPU workstation to run MD simulations, and I was wondering > if anyone has any recommendation regarding the GPU/CPU combination. > > From what I can see, the GTX690 could be the best bang for my buck in terms > of number of cores, memory, clock rate. But being a dual GPU card, I was > wondering if there is any latency issue that could make its performances > less favorable with respect to a GTX Titan. > > Also, which motherboard, CPU is recommendable for this system. > > Thank you in advance for you help, > > Al > -- > 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 -- 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
