Interesting. Remove the space before NEB cards: BEGIN not BEGIN Same for all NEB-specific cards. It's of course a bug.
Paolo On Fri, Aug 19, 2016 at 11:00 AM, Alexandra C. Davila Lopez < [email protected]> wrote: > Dear QE users, > > I am running a (my first) NEB calculation in QE, but the calculation > doesn't start and I go the following message: > > ************************************************************ > ********************* > > Message from routine path_gen_inputs: > key word BEGIN missing > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine path_read_namelists (1): > reading namelist path > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > ************************************************************ > ********************** > > There should be something bad written, but I don't find it ... or maybe it > is well written. > > And I am running on 1node and 30cpu per task, QE is compiled in serial > version: > > neb.x -inp nebau.scf.david.in > nebau.scf.david.out > > Here I attached my input file. > > Best regards, > -- > > A. Dávila > AG. Pehlke > Institut für Theoretische Physik und Astrophysik > Christian-Albrechts-Universität zu Kiel > Leibnizstr. 15 > 24118 Kiel > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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