<div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Hello All,</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif"><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">
I am getting error in bands.x. I have installed patch file as well. WHile installing I have got this message, which means bug is still persists?. I have attached both input and output file as well.</div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">
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owner@ubuntu:/host/qexpress$ cd espresso-5.0.2<br>owner@ubuntu:/host/qexpress/espresso-5.0.2$ patch -p1 < espresso-5.0.2-5.0.3.diffpatching file CPV/src/pseudopot_sub.f90<br>patching file Doc/release-notes<br>patching file Modules/read_upf_v2.f90<br>
patching file Modules/write_upf_v2.f90<br>patching file PP/src/bands.f90<br>Hunk #1 FAILED at 101.<br>1 out of 1 hunk FAILED -- saving rejects to file PP/src/bands.f90.rej<br>patching file PW/src/divide_class.f90<br>patching file PW/src/make.depend<br>
patching file PW/src/pw_restart.f90<br>patching file Modules/xml_io_base.f90<br>patching file Modules/version.f90<br>patching file PHonon/Gamma/make.depend<br>patching file PHonon/PH/addnlcc_zstar_eu_us.f90<br>patching file PHonon/PH/make.depend<br>
patching file PHonon/PH/phq_readin.f90<br>patching file PHonon/PH/sgam_ph.f90<br>patching file PHonon/PH/solve_linter.f90<br>patching file PHonon/PH/write_eigenvectors.f90<br>patching file PHonon/PH/zstar_eu_us.f90<br>owner@ubuntu:/host/qexpress/espresso-5.0.2$<span class="" style>3:58 PM</span></div>
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My input file is, </div><div id=":3bn" class="" tabindex="0"><div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"> &BANDS</font></div><div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"> prefix = 'newco' ,</font></div>
<div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"> outdir = '/home/owner/' ,</font></div><div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"> filband = 'gaobands' ,</font></div>
<div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"> lsym = .false. ,</font></div><div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"> no_overlap = .false. ,</font></div>
<div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"> /</font></div><div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"><br></font></div><div id=":3bn" class="" tabindex="0">
<font face="arial, helvetica, sans-serif">Output file is,</font></div><div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"><br></font></div><div id=":3bn" class="" tabindex="0"><font face="arial, helvetica, sans-serif"><div id=":3bn" class="" tabindex="0">
<div id=":3bn" class="" tabindex="0"> Program BANDS v.5.0.2 (svn rev. 9392) starts on 22Dec2013 at 22:22: 6 </div><div id=":3bn" class="" tabindex="0"><br></div><div id=":3bn" class="" tabindex="0"> This program is part of the open-source Quantum ESPRESSO suite</div>
<div id=":3bn" class="" tabindex="0"> for quantum simulation of materials; please cite</div><div id=":3bn" class="" tabindex="0"> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div><div id=":3bn" class="" tabindex="0">
URL <a href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a>", </div><div id=":3bn" class="" tabindex="0"> in publications or presentations arising from this work. More details at</div>
<div id=":3bn" class="" tabindex="0"> <a href="http://www.quantum-espresso.org/quote.php">http://www.quantum-espresso.org/quote.php</a></div><div id=":3bn" class="" tabindex="0"><br></div><div id=":3bn" class="" tabindex="0">
Serial version</div><div id=":3bn" class="" tabindex="0"><br></div><div id=":3bn" class="" tabindex="0"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div id=":3bn" class="" tabindex="0">
Error in routine bands (1):</div><div id=":3bn" class="" tabindex="0"> gamma_only case not implemented</div><div id=":3bn" class="" tabindex="0"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div id=":3bn" class="" tabindex="0"><br></div><div id=":3bn" class="" tabindex="0"> stopping ...</div><div id=":3bn" class="" tabindex="0"><br></div><div id=":3bn" class="" tabindex="0">Thanks and Regards,</div><div id=":3bn" class="" tabindex="0">
Manu</div></div></font></div></div></div></div><div class="" style="font-family:arial,helvetica,sans-serif"><div class="" style="padding-bottom:440px"><div id=":3b9" style="font-family:arial,sans-serif;font-size:medium">
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