OK, I will do it and later I will report here
if the error was reproduced or not.
Best wishes,
Marek
Dne Wed, 26 Jan 2011 15:04:16 +0100 case <case.biomaps.rutgers.edu>
napsal/-a:
> On Wed, Jan 26, 2011, Marek Maly wrote:
>>
>> I recently also obtained NaN problem in one of my simulation using
>> pmemd.cuda on GTX 470:
>> see - relevant data below. Unfortunately it is unreproducable as I am
>> using ig=-1.
>
> You *can* re-run things in this circumstance: pmemd will print out the
> value
> of the random seed that was actually used, and you can put that back into
> your input file. This can be helpful to see if the problem is the same
> every
> time.
>
> ....dac
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
> __________ Informace od ESET NOD32 Antivirus, verze databaze 5820
> (20110126) __________
>
> Tuto zpravu proveril ESET NOD32 Antivirus.
>
> http://www.eset.cz
>
>
>
--
Tato zpráva byla vytvořena převratným poštovním klientem Opery:
http://www.opera.com/mail/
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 26 2011 - 07:00:07 PST
