Look at your restart file. I'm guessing there are lines with "******" in
places. If this is the case, then your coordinates overflowed the
available restart file format. There are a number of threads regarding
this (and using iwrap to fix this issue).
Here's an example: http://archive.ambermd.org/201004/0143.html
The error messages for these kinds of errors will improve in the future.
HTH,
Jason
On Sun, Feb 5, 2012 at 9:06 PM, Rajendra Sharma <rajenbiotech.gmail.com>wrote:
> Dear all,
>
> I have received the following error while extending my parallel simulations
> using sander.MPI.
>
> At line 2804 of file _ew_setup.f
> Fortran runtime error: Bad value during floating point read
> --------------------------------------------------------------------------
> mpirun has exited due to process rank 0 with PID 10614 on
> node compute-0-2.local exiting without calling "finalize". This may
> have caused other processes in the application to be
> terminated by signals sent by mpirun (as reported here).
> --------------------------------------------------------------------------
>
> sincerely,
>
> Rajendras
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Feb 06 2012 - 15:00:02 PST
