[CP2K:2295] Error on malformed input file

Laino Teodoro teodor... at gmail.com
Tue Sep 22 23:36:46 CEST 2009


Thanks Ondrej,

the check actually was there but it was wrong. It is now fixed in the  
CVS.
Regards,
Teo

On 22 Sep 2009, at 21:56, Ondrej Marsalek wrote:

>
> Hi everyone,
>
> normally, CP2K complains about malformed input files. I have noticed
> that this is not the case if the problem is in the &COORD section.
> Running the input file pasted at this message gives me the rather
> confusing error:
>
> forrtl: severe (24): end-of-file during read, unit -5, file Internal
> List-Directed Read
>
> and a stack trace. This is not a serious issue, but perhaps there is
> an easy way to fail more gracefully and inform the user about his
> mistake. I have encountered this when using the @include directive,
> which makes the problem slightly more difficult to spot.
>
> Of course the example is "too minimal" and will not run anyway, but
> removing the offending line at least makes it fail with a nice
> informative error message.
>
> Regards,
> Ondrej
>
>
> &FORCE_EVAL
>   &SUBSYS
>     &CELL
>       ABC 10.0 10.0 10.0
>     &END CELL
>     &COORD
>       garbage
>     &END COORD
>   &END SUBSYS
> &END FORCE_EVAL
>
> &GLOBAL
> &END
>
> >




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