[AMBER] Could not read velocities from restart file

From: David Condon <dec986.gmail.com>
Date: Tue, 10 Apr 2012 09:13:57 -0400


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?

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Received on Tue Apr 10 2012 - 06:30:05 PDT
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