[Wien] Mini stop

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Tue Sep 21 12:49:35 CEST 2004


> Probably too stupid to help, but it happened to me once :
> a file .stop_mini or so that was left from a previous job, and
> instructed the min program to stop.  A simple rm will do in that
> case.

It's so stupid that it happened to me as well, even more than once. I 
don't know whether it is still the case in the newest version, but if 
so, then I have this SUGGESTION FOR THE AUTHORS: when .stop is used, 
it is removed automatically after the scf-cycle has stopped. 
When .minstop is used, it stays there, even after the minimization 
cycle has stopped. With obvious problems at a restart if one forgets 
to remove it. Removing .minstop automatically would be better, I think.

Stefaan




More information about the Wien mailing list