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<div>More RAM the better, and the best I have seen is 4 GPU work station. I can use/have used 4. The GPU takes 2 slots though, so a 7-8 PCIe board is really 3-4 GPU, except the tyan mentioned (there designed as blades so an 8 or 10 slot board really holds 8 or 10 GPU's). There's cooling problems though with GPU's, as on a board there packed, so extra cooling things may help not blow a GPU, but I would look for good ones (ask around), as its a video game market and they go for looks even though its in casing? The external RAM (not onboard GPU RAM) helps if you do a larger sim, but I dont know performance wise, the onboard GPU, the more RAM the marrier...so yes, normal work stations you can get 4 GPU's for a 300 US$ board, but then the price goes way up (3-4000 US$ for an 8-10 gpu board). RAM ordered abroad is also cheep, 8 or 16 MB Vs. Shop...I have used 4 GPU's but only on tests software, not Gromacs, so would be nice to see performance...for a small 100 atom molecule and 500 solvent, using just the CPU I get it to run 5-10 minutes real for 1 ns sim, but tried simple large 800 amino, 25,000 solvent eq (NVT or NPT) runs and they clock at around 1 hour real for say 50 ps eq's....</div>
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<div>Stephan</div>
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<div style="margin:0 0 10px 0;"><b>Gesendet:</b> Samstag, 25. Mai 2013 um 07:54 Uhr<br/>
<b>Von:</b> "James Starlight" <jmsstarlight@gmail.com><br/>
<b>An:</b> "Discussion list for GROMACS users" <gmx-users@gromacs.org><br/>
<b>Betreff:</b> Re: [gmx-users] GPU-based workstation</div>
<div name="quoted-content">Dear Dr. Watkins!<br/>
<br/>
Thank you for the suggestions!<br/>
<br/>
In the local shops I've found only Core i7 with 6 cores (like Core<br/>
i7-39xx) and 4 cores. Should I obtain much better performance with 6 cores<br/>
than with 4 cores in case of i7 cpu (assuming that I run simulation in<br/>
cpu+gpu mode )?<br/>
<br/>
Also you've mentioned about 4 PCeI MD. Does it means that modern<br/>
work-station could have 4 GPU's in one home-like desktop ? According to my<br/>
current task I suppose that 2 GPU's would be suitable for my simulations<br/>
(assuming that I use typical ASUS MB and 650 Watt power unit). Have<br/>
someone tried to use several GPU's on one workstation ? What attributes of<br/>
MB should be taken into account for best performance on such multi-gpu<br/>
station ?<br/>
<br/>
James<br/>
<br/>
2013/5/25 lloyd riggs <lloyd.riggs@gmx.ch><br/>
<br/>
> There's also these, but 1 chip runs 6K US, they can get performance up to<br/>
> 2.3 teraflops per chip though double percission...but have no clue about<br/>
> integration with GPU's...Intell also sells their chips on PCIe cards...but<br/>
> get only about 350 Gflops, and run 1K US$.<br/>
><br/>
> <a href="http://en.wikipedia.org/wiki/Field-programmable_gate_array" target="_blank">http://en.wikipedia.org/wiki/Field-programmable_gate_array</a> and vendor<br/>
> <a href="http://www.xilinx.com/" target="_blank">http://www.xilinx.com/</a><br/>
><br/>
> They can design them though to fit a PCIe slot and run about the same, but<br/>
> still need the board, ram etc...<br/>
><br/>
> Mostly just to dream about, they say you can order them with radiation<br/>
> shielding as well...so...<br/>
><br/>
> Stephan Watkins<br/>
><br/>
> *Gesendet:* Freitag, 24. Mai 2013 um 13:17 Uhr<br/>
> *Von:* "James Starlight" <jmsstarlight@gmail.com><br/>
> *An:* "Discussion list for GROMACS users" <gmx-users@gromacs.org><br/>
> *Betreff:* [gmx-users] GPU-based workstation<br/>
> Dear Gromacs Users!<br/>
><br/>
><br/>
> I'd like to build new workstation for performing simulation on GPU with<br/>
> Gromacs 4.6 native cuda support.<br/>
> Recently I've used such setup with Core i5 cpu and nvidia 670 GTX video<br/>
> and obtain good performance ( ~ 20 ns\day for typical 60.000 atom system<br/>
> with SD integrator)<br/>
><br/>
><br/>
> Now I'd like to build multi-gpu wokstation.<br/>
><br/>
> My question - How much GPU would give me best performance on the typical<br/>
> home-like workstation. What algorithm of Ncidia GPU integration should I<br/>
> use (e.g SLI etc) ?<br/>
><br/>
><br/>
> Thanks for help,<br/>
><br/>
><br/>
> James<br/>
> --<br/>
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><br/>
> --<br/>
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><br/>
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