AMBER Archive (2006)

Subject: Re: AMBER: Unable to find mopac charges in divcon.out

From: Mark Williamson (Mark.Williamson_at_imperial.ac.uk)
Date: Fri Nov 24 2006 - 07:54:34 CST

Rachel wrote:

> And there is a new file 'core' created in the directory, which I
> couldn't view its content with vim or emacs.

Hi,
Your report confirms that divcon is crashing. Did you have any joy with
recompiling with "-g" and running it in a debugger as I mentioned before?

> As I don't think I need to run divcon on this machine, and you said it
> may not be worth spending a lot of time on it, but I don't quite
> understand what do you mean by 'run with the status quo'? can you please
> explain a bit more for me? and as this is only still for serial parts,

Ok, the current situation (the status quo) you have is that divcon is
crashing on the IBM machine. If sander passes all its tests on that same
  machine and you're only going to use sander on that machine, it may
save you time if you ignore the divcon issue and carry on to the next
stage and try to compile sander in parallel. Of course, you will then
need to rerun the sander tests with the parallel version.

regards,

Mark
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