[CP2K:8107] missing fortran routines for plumed 1.3 ?
mail2... at gmail.com
Tue Aug 30 11:21:00 UTC 2016
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.
On Tue, Aug 30, 2016 at 12:36 PM, Iain Bethune <ibet... at epcc.ed.ac.uk>
> 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
> - Iain
> Iain Bethune
> Project Manager, EPCC
> Email: ibet... at epcc.ed.ac.uk
> Twitter: @IainBethune @PrimeGrid @CP2Kproject
> Web: http://www2.epcc.ed.ac.uk/~ibethune
> Tel/Fax: +44 (0)131 650 5201/6555
> Mob: +44 (0)7598317015
> Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh,
> EH9 3FD
> > 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
> > Anyone any ideas?
> > Cheers,
> > Holger
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