From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Tue Aug 30 2005 - 01:09:20 CDT
Hi,
I experienced something odd. I am not sure if it was something I did, or
if it was something that happened on some of the processors. I am not
sure that I can reproduce it.
I was switching computers that I was running on midstream. I was running
on a Origin Cluster, but then I needed to run on a Linux Cluster (MPI
build of NAMD 2.6b1). I did a run 0, to output the .vel, .coor, .xsc, and
I output these files in ASCII format (instead of my normal binary so that
I could switch endians). I then used these as input on the other machine.
Everything was running fine, one for a couple hundred thousand steps.
The other did it after only 20-30 thousand steps. The error message is as
follows:
WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3927000
WRITING COORDINATES TO DCD FILE AT STEP 3927000
WRITING COORDINATES TO RESTART FILE AT STEP 3927000
FINISHED WRITING RESTART COORDINATES
WRITING VELOCITIES TO RESTART FILE AT STEP 3927000
FATAL ERROR: Error on renaming file 7ethanol_out.restart.vel to
7ethanol_out.restart.vel.old: No such file or directory
So apparently at the prevous restart writing step, the .vel file was not
written. The .vel.old file was written ok. Is this something that
happened because I was trying to write out binary output and restart
files, but my input was ASCII. I don't think this is a problem.
I think everything is running ok now. I haven't seen this error since, so
it may have just been a fluke.
Thanks.
Joshua Moore
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