[CP2K:2714] Re: RESTART files changed recently?

Teodoro Laino teodor... at gmail.com
Thu May 13 17:18:49 CEST 2010


Not In the CVS. I have a version that should do that: requires  
cleaning. I will post it in the CVS when I will have time to do it.
Regards,
Teo

---------------------------------------------
Teodoro Laino
Zurich Switzerland

Contact info:
Tel.:     http://www.jajah.com/Teo
E-mail: teo... at laino.eu
              teodor... at gmail.com
---------------------------------------------

On 13 May 2010, at 17:08, ivaylo <ivo6i... at gmail.com> wrote:

> Hi Teo,
> Thanks for the reply. It fes.sopt works just fine after the
> substitution.
> Can you tell me if the find-path option is implemented in the new
> version?
> Thanks again.
>
> --Ivaylo
>
> On May 12, 7:28 pm, Laino Teodoro <teodor... at gmail.com> wrote:
>> Ciao Ivaylo,
>>
>> not recently.. Something like 4 months ago and just for 1 section of
>> metadynamics.
>> Edit your old restart file and change
>>
>> SPAWNED_HILLS_AMPL into SPAWNED_HILLS_SCALE
>>
>> and it will work.
>> Regards,
>> Teo
>>
>> On 13 May 2010, at 00:58, ivaylo wrote:
>>
>>
>>
>>> Hello all,
>>> Just a quick question. Has the format of CP2K RESTART files changed
>>> recently? I downloaded a new version of CP2K from the CVS repository
>>> and recompiled fes.sopt.
>>> I tried to run it with a RESTART from an old metadynamics run ( from
>>> last October/Nov).
>>> The result is this:
>>> *** 
>>> *******************************************************************
>>> FES|  Parsing file:   <DMPA-MDYN-1_26500.restart>
>>
>>> forrtl: severe (24): end-of-file during read, unit 10, file /home/
>>> iivanov/PHS/PHS/dmpa-cp2k-revpbe/DMPA-MDYN-1_26500.restart
>>> Image              PC                Routine            Line
>>> Source
>>> fes.sopt           00000000004A4B1D  Unknown               Unknown
>>> Unknown
>>> fes.sopt           00000000004A3625  Unknown               Unknown
>>> Unknown
>>
>>> The old version of fes.sopt runs just fine on said file.
>>> Please let me know. Thanks.
>>
>>> --Ivaylo
>>
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