Dear Szilard, Thanks for your message. Your help is priceless and helps advance science more than many publications. I extend that to many experts who kindly and promptly answer questions in the mailing list. I wish that could be valued when evaluating a CV. Sorry for the digression... The visualization I had in mind was the one most of us do: MD trajectories of biomolecules. In particular I use VMD. From you message, I deduce that a GTX card would work as good as a quadro for a much lower price. Right? The problem is that most worksations come with quadro cards, not GTX. In particular I was looking at Dell precision workstation. If you want a GTX card you have to go to a gaming PC. Which is probably ok if the administration understands it... :-) The GTX cards lack ECC. Is that an issue for running gromacs? or the memory errors only result in adding a negligible stochastic term to the dynamics? Thanks again, Ramon
Message: 5 Date: Tue, 18 Jun 2013 00:20:00 +0200 From: Szil?rd P?ll <szilard.p...@cbr.su.se> Subject: Re: [gmx-users] CUDA with QUADRO GPUs? To: Discussion list for GROMACS users <gmx-users@gromacs.org> Message-ID: <CANnYEw7Y3Otq2zGG8G9E7+q=oa8trzwly31zyt6maye9u1f...@mail.gmail.com> Content-Type: text/plain; charset=ISO-8859-1 Dear Ramon, Compute capability does not reflect the performance of a card, but it is an indicator of what functionalities does the GPU provide - more like a generation number or feature set version. Quadro cards are typically quite close in performance/$ to Teslas with roughly 5-8x *lower* "GROMACS bang for the buck" compared to consumer (GTX) cards. You can find a bit more detailed and more general explanation here: http://goo.gl/80cQQ More concretely, the K4000 is roughly as fast as a GTX 650 Ti, a low-end consumer GPU (~120 Eur), for ~6x the price. For the price of the K4000 one can get a high-end card, e.g the GTX780 which is among the fastest NVIDIA GPUs to date (close to the Tesla K20 in single precision). Hence, unless you really *need* the capabilities of a Quadro card, that is if the visualization you are referring to means CAD or similar *professional* graphics work, I suggest getting consumer cards. If you want to compare cards, from the point of view of GROMACS 4.6, pretty much the only thing that matters is the number of cores (or multiprocessors) times the GPU clock frequency. Note that comparing cards between different generations (different "major" compute capability) is not as straightforward. Cheers, -- Szil�rd -- 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