Hi,
Do you have the latest version of AmberTools? You can check with
'./update_amber -v' in $AMBERHOME. The output should read:
AmberTools version 13.23
-Dan
On Mon, Mar 3, 2014 at 4:08 PM, Ahmed Ayoub <atayoub.ualberta.ca> wrote:
> Dear Amber Developers,
>
> I have been trying to submit an MMPBSA parallel job. The job works
> perfectly fine on AmberTools 12 perfectly fine. But on AmberTools 13 it
> keeps giving me this error although the trajectory files are fine:
>
> TrajError: start frame (1) > total frames (0)
> Error occured on rank 0.
> Exiting. All files have been retained.
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
>
> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
> You may or may not see output from other processes, depending on
> exactly when Open MPI kills them.
>
> Could any one help?
> --
> Ahmed Taha Ayoub
> PhD Student, Theoretical and Computational Chemistry
> W4-54, Department of Chemistry
> 11227 Saskatchewan Drive
> University of Alberta
> Edmonton, Alberta T6G 2G2
> Canada
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Mon Mar 03 2014 - 15:30:03 PST
