[CP2K:8107] missing fortran routines for plumed 1.3 ?

[Holger Kruse]

Hi Iain,

thank you for the info! I was guessing something like that.

I actually searched for the functions in svn 3.0 trunk already, but it
seems they have
already been dropped then.

I do find them in 2.6, though. Not sure yet if we will try it.
Maybe my colleagues can be convinced to use plumed2, but they use a
self-modified plumed 1.3,
and would need to re-implement their changes.

cheers,
Holger



On Tue, Aug 30, 2016 at 12:36 PM, Iain Bethune <ibet... at epcc.ed.ac.uk>
wrote:

> Hi Holger,
>
> Support for PLUMED 1.3 was removed in the current SVN trunk, mainly since
> it is no longer actively developed and supported by the PLUMED developers.
> They are encouraging all users to move to PLUMED 2.x.  If you really need
> PLUMED 1.3, you can continue to use CP2K 3.0.
>
> I updated the version history page (and the PLUMED instructions page) to
> make this clear:  https://www.cp2k.org/version_history
>
> Cheers
>
> - Iain
>
> --
>
> Iain Bethune
> Project Manager, EPCC
>
> Email: ibet... at epcc.ed.ac.uk
> Twitter: @IainBethune @PrimeGrid @CP2Kproject
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>
> > On 30 Aug 2016, at 10:54, HolgerKruse <mail2... at gmail.com> wrote:
> >
> > Hi,
> >
> > I have a few months old cp2k version from the github mirror, working
> fine without plumed.
> > Trying to recompile it with plumed 1.3 following the wiki entry gives me
> the following error:
> >
> > "undefined reference to `__cell_types_MOD_pbc_cp2k_plumed"
> >
> > Looking into the plumed code I find these are wrapper functions for
> fortran code (metadyn.h):
> > extern "C" void pbc_cp2k_plumed( real*, real*, real* );
> > extern "C" void __cell_types_MOD_pbc_cp2k_plumed( real*, real*, real* );
> >
> > But neither of these are present in the cp2k source code, which is
> confusing.
> > Anyone any ideas?
> >
> > Cheers,
> > Holger
> >
> >
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