[CP2K:1546] COLVARS and SEGFAULTs

Teodoro Laino teodor... at gmail.com
Tue Nov 11 16:32:16 UTC 2008


Thanks for the feedback. This check is now in the CVS.
Cheers
Teo

ilya wrote:
> Hello again!
>
> I noticed that when you run metadynamics (and set metavars in metadyn
> sect) and forget to specify colvars in SUBSYS section (again stupid
> mistake, but...) the program makes the first QM force calc (comlete
> scf) and then SEGFAULTS (when first actual metadyn step begins). It
> would be nice to add some very basic checking of number of
> matadynamics colvars and CVs in SUBSYS because it may save a lot of
> time for users in future.
>
> Best wishes.
> Ilya.
> >
>   




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