[gmx-users] GPU-based workstation

James Starlight jmsstarlight at gmail.com
Sat May 25 07:54:30 CEST 2013


Dear Dr. Watkins!

Thank you for the suggestions!

In the local shops I've found only Core i7 with 6 cores (like  Core
i7-39xx) and 4 cores.  Should I obtain much better performance with 6 cores
than with 4 cores in case of i7 cpu (assuming that I run simulation in
cpu+gpu mode )?

Also you've mentioned about 4 PCeI MD. Does it means that modern
work-station could have 4 GPU's in one home-like desktop ? According to my
current task I suppose that 2 GPU's would be suitable for my simulations
(assuming that I use typical ASUS MB  and 650 Watt power unit). Have
someone tried to use several GPU's on one workstation ? What attributes of
MB should be taken into account for best performance on such multi-gpu
station ?

James

2013/5/25 lloyd riggs <lloyd.riggs at gmx.ch>

> There's also these, but 1 chip runs 6K US, they can get performance up to
> 2.3 teraflops per chip though double percission...but have no clue about
> integration with GPU's...Intell also sells their chips on PCIe cards...but
> get only about 350 Gflops, and run 1K US$.
>
> http://en.wikipedia.org/wiki/Field-programmable_gate_array and vendor
> http://www.xilinx.com/
>
> They can design them though to fit a PCIe slot and run about the same, but
> still need the board, ram etc...
>
> Mostly just to dream about, they say you can order them with radiation
> shielding as well...so...
>
> Stephan Watkins
>
> *Gesendet:* Freitag, 24. Mai 2013 um 13:17 Uhr
> *Von:* "James Starlight" <jmsstarlight at gmail.com>
> *An:* "Discussion list for GROMACS users" <gmx-users at gromacs.org>
> *Betreff:* [gmx-users] GPU-based workstation
> Dear Gromacs Users!
>
>
> I'd like to build new workstation for performing simulation on GPU with
> Gromacs 4.6 native cuda support.
> Recently I've used such setup with Core i5 cpu and nvidia 670 GTX video
> and obtain good performance ( ~ 20 ns\day for typical 60.000 atom system
> with SD integrator)
>
>
> Now I'd like to build multi-gpu wokstation.
>
> My question - How much GPU would give me best performance on the typical
> home-like workstation. What algorithm of Ncidia GPU integration should I
> use (e.g SLI etc) ?
>
>
> Thanks for help,
>
>
> James
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