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
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proc/nbgrp/npool/nimage = 8 13 *** namelist &inputpp no longer valid: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
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17 18
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19 Error in routine bands (17): 20 reading bands namelist 21
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22
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23 Error in routine bands (17): 24 reading bands namelist 25
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26 27 stopping ... 28 Error in routine bands (17): 29 reading
bands namelist 30
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
31 32 stopping ...
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