[CP2K:2711] RESTART files changed recently?

Laino Teodoro teodor... at gmail.com
Thu May 13 01:28:35 CEST 2010


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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