[CP2K:800] Re: nose thermostat

[Teodoro Laino]

No problem Diederica,

Did you check if with the changes I told you to do (RC_*) a today cvs  
snapshot works or not.
Sorry but that CVS/Entries is useless.. I need the cp2k/src/CVS/Entries
The one you sent me looks like the cp2k/CVS/Entries.

Thanks
teo


On 12 Mar 2008, at 09:40, Diederica Claeys wrote:

> 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.
>
>
>
> >
> <pm3_oldversion.tgz>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080312/2a8440d7/attachment.htm>