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 !
sincerly,
Wang
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Received on Thu Apr 08 2010 - 03:30:02 PDT
