[QE-users] Error in routine bands (1): reading bands namelist

Michal Bennar michal.bennar at savba.sk
Wed Nov 22 22:54:46 CET 2023


Hello, 

I have a problem that has been previously discussed, but I was unable to solve it or find a proper solution. I am experiencing a problem with 'bands.x' on my Ubuntu 22.04.2 LTS running on Windows 11. I was able to perform band calculations using pw.x, but when I attempt to use bands.x, I encounter the following error.

~/QE/Au_bands$ bands.x < Au_bands_pp.in |tee Au_bands_pp.out

     Program BANDS v.6.7MaX starts on 22Nov2023 at 22:29:39

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors

     MPI processes distributed on     1 nodes

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine bands (1):
     reading bands namelist
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.

....................................................................................

Input file: Au_bands_pp.in

&BANDS

	outdir	= './tmp/'
	prefix	= 'gold'
	filband	= 'Au_bands.dat'

/

....................................................................................

All of my input files for pw.x have the same prefix, which is 'gold'  (prefix = 'gold').

....................................................................................

I really appreciate anyone's help.

Regards,
Bennár Michal


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