[CP2K:2478] GHOST and QMMM
Stanislav Avdoshenko
s.avdo... at gmail.com
Fri Dec 18 09:01:31 UTC 2009
Dear Teo
thanks indeed,
Just for completeness, let me also say that the segfault is not related
> to the GHOST keyword: you can easily take it out + commenting the
> ELEMENT keyword and the segfault will be still there: this is just to
> let you realize how important is having a small test case that
> reproduces the error (saves plenty of our time).
>
yep, I realized that, after I found that it is sensitive to ELEMENT but not
to GHOST.
have a good day,
S.
>
> Thanks for your collaboration,
> Teo
>
> Stanislav Avdoshenko wrote:
> >
> > Dear Teo,
> > thank you for a really kind response,
> > a simple example, that one can easily obtain from cp2k/test, please
> > find in attached.
> > if one will uncomment:
> > ! ELEMENT O
> > "Segmentation fault" will go away
> >
> > My best regards, S.
> >
> >
> > 2009/12/17 Laino Teodoro <teodor... at gmail.com
> > <mailto:teodor... at gmail.com>>
> >
> > Deat Stas,
> > if you know the rules (I didn't see any input file attached in the
> > first message) you should know that an input file like the one that
> > you have just sent is useless.
> > Come back with an input file that uses a minimal number of
> > instructions and that reproduces the error.
> >
> > You can get help for free in this mailing list but you need to make
> > our work easy.
> > Otherwise feel free to debug things by yourself.
> >
> > Regards,
> > Teo
> >
> > On 17 Dec 2009, at 23:12, Stanislav Avdoshenko wrote:
> >
> > > Hi Teo,
> > > I know those rules, but anyway thanks.
> > > 1) google says only nothing about those kind of things.
> > > 2) please find in attached an example of input file (sorry, it has
> > > a bit bad structure, it just a working version).
> > > Thanks, Stas
> > >
> > >
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> > > <test.tar>
> >
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