"lsym" is a logical variable, so lsym=.true., not lsym='true' Paolo
On Fri, May 3, 2019 at 8:03 AM Fabrizio Cossu <[email protected]> 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 > > | > .----. .----. .----. |---- .----. =========================== > ,----| | | | | | | http://www.apctp.org/?JrgId=16 > `----^ |----' `----' `----' |----' =========================== > | | > > _______________________________________________ > Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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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