[Pw_forum] Neb doesn't start

[Paolo Giannozzi]

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 <
davila at theo-physik.uni-kiel.de> 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
>
>
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>



-- 
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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