[CP2K:797] Re: nose thermostat

[Diederica Claeys]

Dear Teo,

Sorry for giving the wrong date. I didn't install anything myself...
Unfortunately there is nothing on that line, I added the head of the output
and the CVS/Entries file I found in the folder with the codes.

greetings,
Diederica

On Wed, Mar 12, 2008 at 12:43 AM, Teodoro Laino <teodor... at gmail.com>
wrote:

> Dear Diederica,
> I wanted to have a look at the problem you mentioned (i.e. different
> energies/forces for two different versions).
> I downaloaded a cp2k version dated 2007-04-27 and this does not run your
> example. It gives a segmentation fault.
>
> Can you please post the line of the output file containing the "Last CVS
> Entry" .. I want just to be sure that it was really 27 April 2007.
> (From what I reproduced it cannot be..)
> Thanks
> teo
>
>  On 10 Mar 2008, at 18:54, Diederica wrote:
>
>  I used an older version of cp2k (2007-04-27) for the pm3 simulations
>
> as the molecule fell apart using the more recent version of
>
> 2008-01-22.
>
>
>
> >
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080312/a1f5ebff/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: pm3_oldversion.tgz
Type: application/x-gzip
Size: 5211 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080312/a1f5ebff/attachment.bin>