Dear Jason,
Thank you for your last instructions . Now , I have found the **** in the restart file ,and deleted the following lines from there . I re-run simulation , a new problem has appeared . In the Output there has another error:
| Flags:
getting new box info from bottom of inpcrd
| INFO: Old style inpcrd file read
| peek_ewald_inpcrd: Should not be here
What's wrong? Should I delete content in other files while delete the **** in the restart file ?
Expect your further instructions !
Thank you
Wang
ÔÚ2010-04-07 22:00:05£¬"Jason Swails" <jason.swails.gmail.com> дµÀ£º
>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
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
>--
>---------------------------------------
>Jason M. Swails
>Quantum Theory Project,
>University of Florida
>Ph.D. Graduate Student
>352-392-4032
>
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 07 2010 - 21:00:02 PDT
