[CP2K:167] Re: about output handling in cp2k

[Teodoro Laino]

could be a bug..
is it a large input file? Is there any chance to debug on it?
At which point of the calculation is it stopping?

teo

p.s.: soon you will have also the IONS+CENTERS.xyz ;-)

On 11 Jul 2007, at 19:11, Axel wrote:

>
>
>
> On Jul 11, 10:13 am, Teodoro Laino <teodor... at gmail.com> wrote:
>> Ciao Axel,
>> The bug with the DCD should be fixed now.. check when you've occasion
>> to do that and let me know in case of other problems..
>
> ciao teo,
>
> yep. i managed to sneak a compilation and test past the CCSD(T)
> job that is currently clogging my machine, and it works for me, too.
>
> thanks a lot,
>    axel.
>
> p.s.: trying to chase down a rather elusive problem on the XT3 now.
> QS just stops after a few steps. cvs from 18-06-2007 works,
> cvs of last weekend didn't. oh well...
>
>> Cheers
>> Teo
>>
>
>
> >