<div dir="ltr"><div dir="ltr"><div>Oohps, that was a trivial mistake.</div><div>Thank you, Paolo, for pointing it out! It worked fine as it should be.</div><div><br></div><div>Fabrizio<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, 3 May 2019 at 16:23, Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div dir="ltr">"lsym" is a logical variable, so lsym=.true., not  lsym='true'</div><div dir="ltr"><br></div><div>Paolo<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, May 3, 2019 at 8:03 AM Fabrizio Cossu <<a href="mailto:fabrizio.cossu@apctp.org" target="_blank">fabrizio.cossu@apctp.org</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div><span style="font-family:georgia,serif">   Dear QE Users,</span></div><div><span style="font-family:georgia,serif">I'm
 calculating the band structure of NbP, and I successfully run up to the
 'nscf'. However, with bands.x I get the following error message (see 
also attachment):</span></div><div><br></div><div>*******************************************************************</div><div>[...]<br></div><div>     MPI processes distributed on     3 nodes<br>     R & G space division:  proc/nbgrp/npool/nimage =      84<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine bands (64):<br>     reading bands namelist<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br>[...]<br></div><div><div>*******************************************************************</div></div><div><span style="font-family:georgia,serif">I searched in the past discussions, but I have none of the errors pointed out therein.<br></span></div><div><span style="font-family:georgia,serif">What's the cause of the present error?</span></div><div><span style="font-family:georgia,serif"><br></span></div><div><span style="font-family:georgia,serif">Here are the commands I used to call the executables and relative input files:</span></div><div>*******************************************<br></div><div>module load QuantumESPRESSO/6.4-nsc1-intel-2018b-eb<br><br> mpprun -n 84 pw.x -nk 4 -inp <a href="http://scf.in" target="_blank">scf.in</a> > scf.out 2>&1<br> mpprun -n 84 pw.x -nk 4 -inp <a href="http://nscf.in" target="_blank">nscf.in</a> > nscf.out 2>&1<br> mpprun -n 84 pw.x -nk 4 -inp <a href="http://em-prop.in" target="_blank">em-prop.in</a> > em-prop.out 2>&1<br> mpprun -n 84 bands.x -nk 1 -inp <a href="http://bands.in" target="_blank">bands.in</a> > bands.out 2>&1<br>*******************************************<br><br></div><div><span style="font-family:georgia,serif"><br></span></div><div><span style="font-family:georgia,serif">   Thank you in advance for any help.</span></div><div><span style="font-family:georgia,serif"><br></span></div><div><span style="font-family:georgia,serif">   Kind regards,</span></div><div><span style="font-family:georgia,serif">   Fabrizio</span><br clear="all"></div><br>-- <br><div dir="ltr" class="gmail-m_-2844731563743375014gmail-m_-136110377531150880gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><b>Fabrizio Cossu<br>postdoctoral fellow at APCTP (Asia Pacific Center for Theoretical Physics)</b>,</div><div dir="ltr"><font face="comic sans ms, sans-serif">Hogil Kim Memorial Building #501 <br>POSTECH, 67 Cheongam-Ro, Nam-Gu, <br>Pohang-si, Gyeongsangbuk-do,<br>790-784 (37673), Republic of Korea</font></div><div dir="ltr"><pre>                       |<br>  .----. .----. .----. |----  .----.   ===========================<br>  ,----| |    | |      |      |    |   <a href="http://www.apctp.org/?JrgId=16" style="font-family:"comic sans ms",sans-serif;white-space:normal;color:rgb(17,85,204)" target="_blank">http://www.apctp.org/?JrgId=16</a><br>  `----^ |----' `----' `----' |----'   ===========================<br>         |                    |</pre></div><div dir="ltr"><font face="comic sans ms, sans-serif"><span><span></span></span></font></div></div></div></div></div></div></div></div></div></div></div></div></div></div>
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Quantum Espresso is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
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Quantum Espresso is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
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<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font face="comic sans ms, sans-serif"><span><span></span></span></font></div></div></div></div></div></div></div></div></div></div></div></div></div>