Re: [AMBER] NaN error in .rst files

From: filip fratev <filipfratev.yahoo.com>
Date: Thu, 27 Jan 2011 07:33:30 -0800 (PST)

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
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