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<body class='hmmessage'><div dir='ltr'>Dear All,<div><br></div><div>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. </div><div><br></div><div>By the way a similar program dos.x works very well in the same cluster. </div><div><br></div><div>Thanks </div><div><br></div><div><div> 2 Program BANDS v.5.0.2 (svn rev. 9392) starts on 25Sep2013 at 10:57:34</div><div> 3 </div><div> 4 This program is part of the open-source Quantum ESPRESSO suite</div><div> 5 for quantum simulation of materials; please cite</div><div> 6 "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div><div> 7 URL http://www.quantum-espresso.org",</div><div> 8 in publications or presentations arising from this work. More details at</div><div> 9 http://www.quantum-espresso.org/quote.php</div><div> 10 </div><div> 11 Parallel version (MPI), running on 8 processors</div><div> 12 R & G space division: proc/nbgrp/npool/nimage = 8</div><div> 13 *** namelist &inputpp no longer valid: please use &bands instead</div><div> 14 </div><div> 15 </div><div> 16 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 17 </div><div> 18 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 19 Error in routine bands (17):</div><div> 20 reading bands namelist</div><div> 21 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 22 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 23 Error in routine bands (17):</div><div> 24 reading bands namelist</div><div> 25 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 26 </div><div> 27 stopping ...</div><div> 28 Error in routine bands (17):</div><div> 29 reading bands namelist</div><div> 30 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 31 </div><div> 32 stopping ...</div><div> 33 </div><div> 34 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 35 Error in routine bands (17):</div><div> 36 reading bands namelist</div><div> 37 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 38 </div><div> 39 stopping ...</div><div> 40 </div><div> 41 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 42 Error in routine bands (17):</div><div> 43 reading bands namelist</div><div> 44 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 45 </div><div> 46 stopping ...</div><div> 47 </div><div> 48 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 49 Error in routine bands (17):</div><div> 50 reading bands namelist</div><div> 51 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> 52 </div><div> 53 stopping ...</div><div> 54 </div><div> 55 stopping ...</div></div><div><br></div> </div></body>
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