Re: [AMBER] What is minimum GPU bandwidth to get AMBER to run properly?

From: ET <sketchfoot.gmail.com>
Date: Mon, 10 Jun 2013 15:59:48 +0100

Thanks v much for the info Ross. :)


On 10 June 2013 15:10, Ross Walker <ross.rosswalker.co.uk> wrote:

>
> >Thanks for the info Ross! :)
> >
> >Just to clarify. When you say single GPU runs, do you mean that there is
> >only one card in the machine, or does this also include two GPUs not
> >working together, but performing a solo run each. i.e. not communicating
> >with each other.
>
> solo run each.
>
> >
> >Also what number exactly counts as a low value of ntpr, ntwr, ntwx, ntwe
> >or
> >ntwv? Is 250 ok?
>
> This is highly simulation specific - generally the more atoms in your
> simulation the smaller these values can be before they effect performance.
> My suggestion would be to try it and see. Typically values of 1000 or more
> or good or you will create massive files. NTWR should always be set large,
> typically so it is triggered only every hour or so.
>
> >
> >Additionally, could you let me know what bandwidth value I need to have a
> >minimum of to run two GPUs in a machine that are not working together?
>
> You need a minimum of PCI-E x16 for reasonable multi-GPU performance.
> Lookup whatever that bandwidth should come out as.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Associate Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Associate Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
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Received on Mon Jun 10 2013 - 08:30:02 PDT
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