config files no longer working after software 'upgrades'

From: Irene Newhouse (einew_at_hotmail.com)
Date: Tue Sep 16 2008 - 18:18:43 CDT

I'm running on a Dell Power Edge linux cluster, & I've had some disconcerting experiences. For example, about 18 months ago, I found an ingenious code segment on http://www.ks.uiuc.edu/~villa/restart which made your restart config file read the last time step from the previous run.
 
It looked like this:
 #set up to get firsttimestep
########################################################
proc get_first_ts { xscfile } {
 set fd [open mono2i_mp.xsc r] gets $fd gets $fd gets $fd line set ts [lindex $line 0] close $fd return $ts} set firstts [get_first_ts mono2i_mp.xsc]
########################################################
 
It worked like a charm for about 6 months, then, after a software upgrade, it crashed. I ended up ripping it out of all my config files & entering the last time step manually into every restart.
 
I was also using the set command to assign name prefixes to input & output files. Today, I tried to run using a config file that worked 9 months ago, and it crashed badly. [There was a major software 'upgrade' in June]. The NAMD output file informed me that my config file contained 2 invalid parameters, set and minimize & it had therefore aborted. I got rid of the set command by manually entering the input & output file names, but I can't get around minimize, because that's what I have to do!
 
Has anybody seen something like this before & what on earth do you do about it? What causes these problems? I really, really dislike giving up conveniences to software 'upgrades'!!
 
Thanks!
Irene Newhouse
_________________________________________________________________
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