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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bands.out.gz
Description: application/gzip
em-prop.in
Description: Binary data
scf.in
Description: Binary data
nscf.in
Description: Binary data
bands.in
Description: Binary data
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