[CP2K:2713] Re: RESTART files changed recently?
ivaylo
ivo6i... at gmail.com
Thu May 13 15:08:17 UTC 2010
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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