Re: [AMBER] i7 extreme for Amber GPU computing?

From: Jan-Philip Gehrcke <jgehrcke.googlemail.com>
Date: Wed, 11 Jan 2012 11:05:24 +0100

Hey,

you've shown a significant change of "double GPU" performance in
dependence of CPU performance.

I am wondering if this dependency can also exist for "single GPU"
simulations. How can I find out if my CPU is limiting the performance of
a GPU simulation without trying different CPUs? Is the CPU usage an
indicator? I've been running a simulation of a small system on a single
C2070 and saw the pmemd process creating a CPU usage of 100 %. Do these
100 % already suggest that the CPU limits the performance?

My system consists of two quad-core Xeon E5630 (2.53GHz) and one Tesla
C2070.

Thanks,

Jan-Philip


On 01/11/2012 12:24 AM, filip fratev wrote:
> Hi Raik,
> i7 will be much
> better than some middle class Xenon's. The speed of the CPU, and of course many
> other factors, are important for the GPU scale. For instance quad core Xenon
> 2.66Ghz and GTX580 3GB perform 48ns/day on JAC against more than 57ns/day with i72600K.4.6Ghz.
> That's the reality..
> If I am not
> wrong NAMD uses only double precision, thus Tesla will be better but why to
> spend money when you can use Amber. Moreover the NAMD GPU version is somewhat
> basic and Amber GPU is much much better!
>
> My advice at the
> moment is i7+few GTX580 3GB. In fact a good configuration is listed on the
> Amber website:
> http://ambermd.org/gpus/
> Paragraph: Building
> your own System
>
> Keep in mined
> that Kepler will be realized after few months.
>
> All the best
>
>

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Received on Wed Jan 11 2012 - 02:30:02 PST
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