[Pw_forum] bands.x help
nuri oncel
nurioncel at hotmail.com
Wed Sep 25 18:20:43 CEST 2013
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.
Thanks
2 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version (MPI), running on 8 processors 12 R & G space division: proc/nbgrp/npool/nimage = 8 13 *** namelist &inputpp no longer valid: please use &bands instead 14 15 16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 17 18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 ... 33 34 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 35 Error in routine bands (17): 36 reading bands namelist 37 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 38 39 stopping ... 40 41 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 42 Error in routine bands (17): 43 reading bands namelist 44 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 45 46 stopping ... 47 48 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 49 Error in routine bands (17): 50 reading bands namelist 51 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 52 53 stopping ... 54 55 stopping ...
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