[Pw_forum] bands.x help-resubmitted

nuri oncel nurioncel at hotmail.com
Wed Sep 25 20:31:51 CEST 2013

Thanks and it worked just fine but after I removed the comma after &bands.
From: nurioncel at hotmail.com
To: pw_forum at pwscf.org
Date: Wed, 25 Sep 2013 12:30:12 -0400
Subject: [Pw_forum] bands.x help-resubmitted

Dear All
Here is my problem. I can calculate the silicon band structure example given in the tutorials (one of pwscf examples) by using my desktop computer with no problem. However when I use the cluster in the campus, I can not get the bands.x run properly. It always gives the following error message in the bands.out file. (see below) I changed it to &bands and run it again. The output file looks the same. I look through the bands.f90 file and the error originates from a subroutine mp_bcast. The variable ios (I have no idea what it actually corresponds) has to be zero to avoid error message, if I read this correctly. 
By the way a similar program dos.x works very well in the same cluster. 

   Program BANDS v.5.0.2 (svn rev. 9392) starts on 25Sep2013 at 10:57:34  3   4      This program is part of the open-source Quantum ESPRESSO suite  5      for quantum simulation of materials; please cite  6          "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);  7           URL http://www.quantum-espresso.org",  8      in publications or presentations arising from this work. More details at  9      http://www.quantum-espresso.org/quote.php 10  11      Parallel version (MPI), running on     8 processors 12      R & G space division:  proc/nbgrp/npool/nimage =       8 13 *** namelist &inputpp no longer valid: please use &bands instead 14  15  16  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 17  18  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 19      Error in routine bands (17): 20      reading bands namelist 21  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 22  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 23      Error in routine bands (17): 24      reading bands namelist 25  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 26  27      stopping ... 28      Error in routine bands (17): 29      reading bands namelist 30  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 31  32      stopping ...

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