Re: [AMBER] Sander output Error

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 20 Jun 2012 01:01:45 -0400

Look through your restart file for ********s. Then look up this issue
(along with the variable "iwrap") on the Amber archives -- there will be
plenty of explanations.

Note that amber12 is more helpful with these kinds of errors.

HTH,
Jason

On Wed, Jun 20, 2012 at 12:53 AM, Souvik Sur <souviksur.hotmail.com> wrote:

>
> Dear Amber user,
>
> I got an error when I tried to run job in sander, the error is like:
>
> At line 2266 of file _ew_setup.f (unit = 9, file = 'wat_nsn_md_32.5ns.rst')
> Fortran runtime error: Bad value during floating point read
>
> I restarted the job using same .rst file several times, still it is not
> running, can you please suggest regarding the errors and the solution of it.
>
> regards,
> Souvik Sur
> Ph. D. Student
> Department Of Chemistry
> University Of Delhi
> India
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 19 2012 - 22:30:03 PDT
Custom Search