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
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Received on Mon Mar 03 2014 - 15:30:02 PST
