[QE-users] bands namelist error

[Paolo Giannozzi]

"lsym" is a logical variable, so lsym=.true., not  lsym='true'

Paolo

On Fri, May 3, 2019 at 8:03 AM Fabrizio Cossu <fabrizio.cossu at apctp.org>
wrote:

>    Dear QE Users,
> I'm calculating the band structure of NbP, and I successfully run up to
> the 'nscf'. However, with bands.x I get the following error message (see
> also attachment):
>
> *******************************************************************
> [...]
>      MPI processes distributed on     3 nodes
>      R & G space division:  proc/nbgrp/npool/nimage =      84
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine bands (64):
>      reading bands namelist
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
> [...]
> *******************************************************************
> I searched in the past discussions, but I have none of the errors pointed
> out therein.
> What's the cause of the present error?
>
> Here are the commands I used to call the executables and relative input
> files:
> *******************************************
> module load QuantumESPRESSO/6.4-nsc1-intel-2018b-eb
>
>  mpprun -n 84 pw.x -nk 4 -inp scf.in > scf.out 2>&1
>  mpprun -n 84 pw.x -nk 4 -inp nscf.in > nscf.out 2>&1
>  mpprun -n 84 pw.x -nk 4 -inp em-prop.in > em-prop.out 2>&1
>  mpprun -n 84 bands.x -nk 1 -inp bands.in > bands.out 2>&1
> *******************************************
>
>
>    Thank you in advance for any help.
>
>    Kind regards,
>    Fabrizio
>
> --
>
> *Fabrizio Cossupostdoctoral fellow at APCTP (Asia Pacific Center for
> Theoretical Physics)*,
> Hogil Kim Memorial Building #501
> POSTECH, 67 Cheongam-Ro, Nam-Gu,
> Pohang-si, Gyeongsangbuk-do,
> 790-784 (37673), Republic of Korea
>
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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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