[CP2K:2296] Re: Error on malformed input file

Ondrej Marsalek ondrej.... at gmail.com
Tue Sep 22 23:42:46 CEST 2009


Lightning fast as usual, thanks.

Best,
Ondrej


On Tue, Sep 22, 2009 at 23:36, Laino Teodoro <teodor... at gmail.com> wrote:
>
> 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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