Hi Marek,
I performed 50 000 steps. You can find the outputs as an attached file.
My system:
--------------------------------------
Linux 2.6.34-12-desktop x86_64
openSUSE 11.3 (x86_64)
GeForce GTX 470
NVIDIA 260.19.36
AMD Phenom(tm) II X6 1090T Processor
RAM: 7.8 GiB
--------------------------------------
Cuda 3.1, everything compiled by gcc (SUSE Linux) 4.3.4 [gcc-4_3-branch revision 152973] due to described issues with CUDA and newer versions.
Regards,
Filip
--- On Thu, 1/27/11, Marek Maly <marek.maly.ujep.cz> wrote:
> From: Marek Maly <marek.maly.ujep.cz>
> Subject: Re: [AMBER] NaN error in .rst files
> To: "AMBER Mailing List" <amber.ambermd.org>
> Date: Thursday, January 27, 2011, 12:21 PM
> Hi Ross, Peker and All,
>
> #3
> I would be grateful if anyone with GTX 470/GTX 480 system
> could try short
> simulation (it takes just
> some minutes to reach 20 000 steps on these cards) using my
> input files
> posted here:
>
> http://physics.ujep.cz/~mmaly/Amber/
>
> and let us know if he obtained or did not obtain previously
> described NaNs
> starting from the step 20 000.
> Please attach also available information about your system
> (mainly
> compilers types/versions used for Amber11 compilation
> , CUDA driver version, OS etc.)
>
> BTW Peker how finished this short test on your GTX 480
> system. Did you
> obtained NaNs or not ?
>
> Best wishes,
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Received on Thu Jan 27 2011 - 09:00:05 PST
