[CP2K:867] Bugs and tests

[Teodoro Laino]

Ciao Carlo,

On 22 Mar 2008, at 22:59, carlo antonio pignedoli wrote:

> Dear all
>
> a few days ago I compiled cp2k and runned an input for AlN bulk
> everything was ok (input.orig)
>
> I recompiled the code today and numbers were wrong (see out1)
>
> Teo suggested me to try to insert the card (see input.inp)
>
>    &RS_GRID
>        DISTRIBUTION_TYPE REPLICATED
>    &END
>
> to wolkaround some recent modifications made in the code.
The problem is located in the commit done : Fri Mar 21 07:09:55 2008  
UTC (38 hours, 52 minutes ago)
[ introduce a halo reduction scheme with subpatch exception handling ]

I got in touch with Matt and he kindly found a bug fix (to the bug  
introduced with the above commit) that I'm regtesting at the
moment (hopefully the bug fix will be in the CVS in 1 hour or so)..   
(thanks again Matt.. especially because it's saturday night!! ;-) LOL)

>
> I tried it and it worked so that the output
> (out_cured) was as ok as the original one.
>
> I strongly suggest that you reinforce the test that have to be
> passed before modifications are submitted to the CVS.
That's true.. unfortunately it is very difficult to cover all  
possibilities.. At the moment we'have something like ~ 900 regtests..  
and all
of them are tested after every modification done.. as I said to cover  
all the potentialities of cp2k not even the double of regtests would
be enough..

The most important thing would be to have a release... This would  
avoid these kind of high risk activities, separating
a production release from a development release..

Axel, did you hear it? ;-) looks like *we* have to push the release  
stuff ;-)

>
> it is not a problem if cards evolve (and usually it is a good thing)
> but it is dangerous that an input that was producing a correct result
> tunrs out in wrong results.
Ooooooooooohhhhhhhhhhh.. finally!!!
Finally someone that does not complain that keywords change ;-) I was  
sure that clever people were appreciating the evolution ;-)

As I said for this specific problem Matt found the bug fix (give me 1  
hour or so..)
This is another important reason why I always ask people to update  
the code frequently (at least as soon as we won't have the release)..
This helps identifying bugs introduced and not catched from the  
regtests.

Ciao and thanks again for the report!
Teo

>
> Please find enclosed the file aln.tar
>
> Ciao
>
> Carlo
>
> >
> <aln.tar>