[CP2K:2296] Re: Error on malformed input file
ondrej.... at gmail.com
Tue Sep 22 21:42:46 UTC 2009
Lightning fast as usual, thanks.
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
> 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.
>> ABC 10.0 10.0 10.0
>> &END CELL
>> &END COORD
>> &END SUBSYS
>> &END FORCE_EVAL
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