Szilárd,
thanks for suggestions. IT's only not quite understand for me in what GPU ( gtx or tesla) I'll get best performance with the typical ssystem consisted of 50-80k atoms with explicit solvent and PME ( assuming that I'm using small cut-offs as you told). For example on the 400$ gtx 670 I have performance similar to your at the GTX 680. I't intresting to me is there any reason to buy modern tesla card ( which prise is > 2000$ ) James 2013/1/25 Szilárd Páll <[email protected]>: > On Mon, Jan 14, 2013 at 7:20 PM, James Starlight > <[email protected]>wrote: > >> 1)As I understood from nvidia site at present time GPU's from the >> tesla serie are the best for the calculations like md. For instasnce >> NVIDIA Tesla C2075 have performance ~ 1 TFLOPS in the >> single-precission calculations. I wounder to know how many 8-core CPU >> must have typical cluster to obtain such performance ? Have someone >> tried to use tesla GPU with gromacs ? What real performance in ns\day >> have been obtained with the explicit solvent systems? >> >> >> 2) Today I performed test gpu-based calculation with 2 different gpu's >> ( GTX 670 vs GT 640). Both of that gpu's have the same GPU frequency >> but GTX 670 has 256 bit memory interface width with ddr5 ram worked on >> higher frequency. As the result I've obtained 50% more perfomance with >> the GTX 670. Does the memory interface width as well as ram frequency >> affect on total GPU performance in addition to GPU frequency? >> >> > As mentioned before, the memory does not matter as much as the number of > processing cores on the GPUs and their frequency. > - GTX 670: 1344 "CUDA cores" (7 multiprocessors * 192 cores) running at 915 > Mhz. > - GTX 640: 384 "CUDA cores" (2 multiprocessors * 192 cores) running at 900 > Mhz. > > The raw GPU performance with our current algorithms has a roughly linear > relationship with the number of cores and frequency, so the raw GPU kernel > performance difference between 670 and 640 should be around 3.5x. It is a > bit surprising that you've only got 50% higher total performance with the > 670. > > -- > Szilárd > > > >> James >> >> >> >> 2013/1/14 James Starlight <[email protected]>: >> > Dear Gromacs Users! >> > >> > >> > I wounder to know some detailes about choosing of the gpu for md with >> > gromacs. In particular on what properties of the videoadapter should I >> > pay most attention ? What modern gpu nvidia-series might give best >> > performance (gtx 6xx, tesla or quadro series) ? Could you provide me >> > with some bechmarks besides the information present on the Gromacs web >> > ? >> > >> > For instance with the gpu Geforce GTX 670 + core i5 (4 cores) I have >> > performance 10ns\day for explicit system with 67000 atoms ( protein in >> > tip3p water). Have someone better results with common home-like >> > desktop? :) >> > >> > >> > James >> -- >> gmx-users mailing list [email protected] >> 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 [email protected]. >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
