Hello,
I am doing a 2 microsecond MD run on my lab's desktop computer, and I
restarted the computer to install some updates (first by killing the pmemd
process, which may not have been the proper way).
Upon restarting the simulation, I get the error at the bottom of the new
output file:
| ERROR: Could not read velocities from 4.rst
>
along with an error printed on the terminal:
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
> rank 0 in job 7 zip.chem.rochester.edu_52043 caused collective abort of
> all ranks
> exit status of rank 0: killed by signal 9
>
This would cause me to lose more than 2 months of computer time that I've
already invested.
Is there a way I can add the velocities back in?
thanks,
-Dave
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Received on Tue Apr 10 2012 - 06:30:05 PDT
