checkpoint software for NAMD?

From: Dan Strahs (dstrahs_at_pace.edu)
Date: Thu Sep 21 2006 - 15:37:47 CDT

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Hi:

I'm running NAMD on some i386 machines using an FC4 Linux. I will need to
reboot the machines periodically into another OS, unfortunately
interrupting the NAMD jobs.

I would like to checkpoint the NAMD jobs to restart at the EXACT step in
the cycle at which they were interrupted. Restart files could work, but I
would have to conservatively estimate the restart frequency.

Is there a checkpoint capacity built into NAMD? Does anyone have any
experience with checkpoint software for Linux environments?

Dan Strahs

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