[Pw_forum] Bls: Another problem with bands.x "reading band namelist"

Imam Setiawan tomieyes6 at yahoo.com
Thu Dec 29 03:18:38 CET 2016


Dear Paolo,
I have even retyped the input for bands.x with the correct quote (') and also used "~/qe-6.0/bin/bands.x -i C_hexa_band.in" to run it but it's still not successful with the same error message. I use the full path for calling bands.x instead of only "bands.x" because if I did that, for some reason it's bands 5.0 that is running. In this case the program seems to be waiting for input which I don't know what to type. It's what is showing when I used "bands.x -i C_hexa_band.in"
Program BANDS v.5.0        starts on 29Dec2016 at 10:36:20 

     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);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote.php

     Parallel version (MPI), running on     1 processors

In that state the terminal idles and nothing happened even if I typed anything, until I aborted it by Ctrl+C. I also tried moving outdir in all input files to the current folder just to see if something changes but it was also to no avail.

Best regards,Wahyutama
 
 

    Pada Rabu, 28 Desember 2016 22:23, Paolo Giannozzi <p.giannozzi at gmail.com> menulis:
 

 Use "bands.x -i input-file", not "bands.x < input-file"; check that there are no funny characters in the file and that all quotes are quotes and not something elsePaolo
Il 26/dic/2016 01:47 PM, "Imam Setiawan" <tomieyes6 at yahoo.com> ha scritto:

 Dear PW_forum members,
I run into an error that seems to be already discussed in this forum. This is about "reading band namelist" error when trying to run bands.x. I have already tried solutions suggested in the other posts such as making the prefix and outdir the same as the pw.x's input files but it is not solved. Since all questions related to this problem that i have found pertain earlier version of QE (I used QE 6.0), could it be version-related problem?My input for bands.x is the following
&bands
   outdir = './work/',
   prefix='C_hexa_scf',
   filband='C_hexa_band.out',
   lsym=.true.
/
and the error I got is
Program BANDS v.6.0 (svn rev. 13079) starts on 25Dec2016 at 22:44:23 
     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);
          URL http://www.quantum-espresso. org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso. org/quote

     Serial multi-threaded version, running on    1 processor cores

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

     stopping ...
I really appreciate anyone's help.

Regards,
WahyutamaPhD StudentRIKEN Saitama, Japan 
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