Re: [AMBER] NaN error in .rst files - UPDATE

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 27 Jan 2011 11:58:06 -0500

Hello,

As a note on GCC 4.5 -- it is now up to version 4.5.2 (stable). While you
may be fine downgrading, you may also be fine upgrading as well (4.5.0 is a
very early release of a new compiler).

However -- did the tests pass with your current install?

2011/1/27 Marek Maly <marek.maly.ujep.cz>

> Hi Peker,
> thanks a lot !
>
> as you has also a little bit older gcc
> ( gcc 4.4.3. ) than me (gcc 4.5.0 ) on the other hand Cuda 3.2 as me,
> your result
> increased my suspicion that problem resides really in gcc version ( simple
> too new for serious work :(( ).
> Anyway it is clear that the first thing which I have to try is to use some
> older gcc and recompile
> everything and see what will happen then ...
>
> Best wishes,
>
> Marek
>
>
>
>
> Dne Thu, 27 Jan 2011 17:09:42 +0100 peker milas <pekermilas.gmail.com>
> napsal/-a:
>
> > Hi again Marek,
> >
> > It finished 85000 step without giving me any NaN s ??? I wanted to let
> > you know
> >
> > best
> > peker
> >
> > On Thu, Jan 27, 2011 at 10:42 AM, filip fratev <filipfratev.yahoo.com>
> > wrote:
> >> Hi Marek,
> >> I performed 50 000 steps. You can find the outputs as an attache file.
> >> Update: Because the output files are about 2.7mb and attachment needs
> >> to be approved by moderator I am sending you the results privately too
> >> (just in case).
> >>
> >> 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
> >>
> >>
> >>
> >>
> >>
> >>
> >>
> >>
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Jan 27 2011 - 09:00:13 PST
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