[AMBER] Fortran runtime error :bad value duiring floating point read

From: Yunfen Wang <wangfen041237.163.com>
Date: Thu, 8 Apr 2010 18:05:50 +0800 (CST)

Dear users,
For MD simulations , I often meet the follow Error :
               "Sander bomb in subroutine nonbond_list
                 volume of uncell too big ,too many subcells list
                 grid memory needs to be reallocated ,restart sander"
Whenever I met it , I just re-run the simulation by restarting the input file and it continued .
But this time, it can't continue but the follow 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 found "****"in the restart file .As Jason says, I should re-run the simulation . However, when I re-run the MD simulation using my last working restart file , it crashed at the same time "ns", reminding the first Error , and re-run with the second Error . I likely cann't jump out the problem.
 Should anyone give me any instructions and advice ?
 Looking forward for your answers! Thanks in advance !

AMBER mailing list
Received on Thu Apr 08 2010 - 03:30:02 PDT
Custom Search