Hello,
Check your restart file for *****. This indicates that one of the
coordinates has become too large for the fixed-format form of the
restart file. If this is the case, you'll have to use your last
working restart file and re-run simulations from there. To avoid this
problem, use 'iwrap' in your input file. Details about this variable
can be found extensively in the archives as well as detailed in the
manual.
Good luck!
Jason
On Wed, Apr 7, 2010 at 9:56 AM, Yunfen Wang <wangfen041237.163.com> wrote:
> Dear users,
> When I run MD simulations, I often meet the follow Error and the simulation is stopped.
> The error : Sander bomb in subroutine nonbond_list
> volume of uncell too big ,too many subcells list grid memory needs to be reallocated ,restart sander
> when I meet it , I restart the input file and the running is continued But this time , I restart , it reminds the follow error and break the simulation
> The error :
> At line 2441 of file -ew -setup.f (unit9 "***.rst")
> Traceback: not available , complile with
> - ftrace = frame or - ftrace = full
> Fortran runtime error :bad value duiring floating point read
> I didn't know why . Is there anybody meeting the similar cituation ? Can give me advice ?
> Thank you in advance
> Reminding that I have checked the software and maked test , there was nothing wrong .
> Looking forward for your suggestions and instruction.
> sincerly,
> Wang
>
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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 Wed Apr 07 2010 - 07:30:02 PDT
