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

From: Marek Maly <>
Date: Thu, 27 Jan 2011 23:10:55 +0100

Hi Filip,

thanks for your reply. You definitely convinced me about gcc 4.3.X :))
I just hope that it is still downloadable ...
I have to manage this with our dept ... IT. After this experiment I will
let here know if it helped or not.

   Best wishes,


Dne Thu, 27 Jan 2011 19:53:50 +0100 filip fratev <>

> Hi Marek,
>> I have one question here for Filip:
>> Did you ever obtained any error on your system (some of that described
>> >in this thread sooner or some else) ?
> No, I did not have any problems after bugfix12 has been released.
> Probably I did not perform so many simulations or importantly type of
> simulations, but I think and my feeling is that this bugfix solved the
> problems with Fermi based chips. I have to try also the cuda.MPI version…
> Personally I think that it really could be gcc (especially 4.5.0)
> version problem, because there were a lot of problems previously
> reported about that, thus I decided to avoid additional problems. If you
> wish try with 4.5.2, but I would use 4.3.X.
> I am really happy that can involve in such kind of GPUs topics :).
> Another interesting topic from today is the GPUs versus CPUs comparison
> and it will be interesting to see some expert comments.
> All the best,
> Filip
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Received on Thu Jan 27 2011 - 14:30:03 PST
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