Re: [AMBER] Regarding running PME simulation on GPU

From: jani vinod <genomejani.gmail.com>
Date: Mon, 18 Jun 2012 07:59:56 +0530

Dea sir,

Thanks for suggestion.
With the updated version of cuda toolkit it working

-vinod

On Thu, Jun 14, 2012 at 5:11 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Vinod,
>
>
> > I have installed amber11 + amber tools 1.5 with cuda and gnu compiler.
> > I
> > applied all
> > bugfixes for AT and Amber11. I have installed serial version of Amber.
> > Nvidia cuda card is C2050.
> > While running test all gb test case were successfully passed but for
> > "4096wat" directory which explicit PME test case
> > I am getting following error
> > cd 4096wat/ && ./Run.pure_wat -1 SPDP netcdf.mod
> > cudaMemcpyToSymbol: SetSim copy to cSim failed the launch timed out and
> > was
> > terminated
> > ./Run.pure_wat: Program error
>
> My guess would be that your cuda toolkit does not match with the driver you
> are using. Try getting the very latest 4.2 toolkit and latest development
> driver (remove the old toolkit from your machine to avoid any unintended
> clashes) and then do a full rebuild of AMBER from scratch.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Assistant 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 Sun Jun 17 2012 - 20:00:02 PDT
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