[Pw_forum] error while compiling quantum espresso-5.0.1 with ifort 12.0

Layla Martin-Samos lmartinsamos at gmail.com
Thu Dec 6 19:56:48 CET 2012


Also, be carefull, plumed was not patched properly with the automatic "make
plumed " for 5.0 and 5.0.1. Download espresso-5.0.2 with the new plumed
version.

cheers

Layla

2012/12/6 Axel Kohlmeyer <akohlmey at gmail.com>

> On Thu, Dec 6, 2012 at 6:21 PM, Paolo Giannozzi <giannozz at democritos.it>
> wrote:
> >
> > On Dec 6, 2012, at 16:58 , ruchir behal wrote:
> >
> >> hills.c(271): error: identifier "BOLTZ" is undefined
> >>       this_ww = hills.wwr*exp(-hills.Vhills/(BOLTZ*
> >> (colvar.wfactor-1.0)*colvar.simtemp));
> >
> > there is no "hills.c" FILE in QE
>
> unless you do: make plumed
>
> :-)
>
> axel.
>
>
> >
> >
> > P.
> > ---
> > Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> > Phone +39-0432-558216, fax +39-0432-558222
> >
> >
> >
> >
> > _______________________________________________
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>
>
>
> --
> Dr. Axel Kohlmeyer  akohlmey at gmail.com  http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
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