<div dir="ltr"><div class="gmail_default" style="font-family:monospace,monospace;color:rgb(56,118,29)"><div class="gmail_default" style="font-size:12.8px"><span style="font-size:12.8px;font-family:arial,sans-serif;color:rgb(34,34,34)">dear QE experts</span></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px">below shown my input and output error.please suggest me to solve this problem.</div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px">this error like tag exxdiv_treatment=gygi-baldereschi, when use this shown error and after removing this tag the program runs.</div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><br></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><br></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><br></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px">&BANDS</div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px">prefix= 'RGO' ,</div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px">outdir= '/home/r/espresso-5.3.0/temp/' ,</div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px">filband= 'bands.dat'</div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px">/<font color="#38761d" face="monospace, monospace"> </font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"><br></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"><br></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> Program BANDS v.5.3.0 (svn rev. 11974) starts on 22Nov2013 at 21: 3:10 </font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"><br></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> This program is part of the open-source Quantum ESPRESSO suite</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> for quantum simulation of materials; please cite</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> URL <a href="http://www.quantum-espresso.org/" target="_blank">http://www.quantum-espresso.org</a>", </font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> in publications or presentations arising from this work. More details at</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> <a href="http://www.quantum-espresso.org/quote" target="_blank">http://www.quantum-espresso.org/quote</a></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"><br></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> Parallel version (MPI), running on 8 processors</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> R & G space division: proc/nbgrp/npool/nimage = 8</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace">*** namelist &inputpp no longer valid: please use &bands instead</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"><br></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> Error in routine bands (1):</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> reading bands namelist</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"><br></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"> stopping ...</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace">--------------------------------------------------------------------------</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace">MPI_ABORT was invoked on rank 5 in communicator MPI_COMM_WORLD </font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace">with errorcode 1.</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace"><br></font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace">NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace">You may or may not see output from other processes, depending on</font></div><div class="gmail_default" style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px"><font color="#38761d" face="monospace, monospace">exactly when Open MPI kills them.</font></div><div class="gmail_default" style="font-size:12.8px"><span style="font-size:12.8px">------------------------------</span><span style="font-size:12.8px">------------------------------</span><span style="font-size:12.8px">--------------</span></div></div><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">Best regards,</font></em></div><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">Rajkamal.A.</font></em></div><div style="text-align:left"><em><font color="#999999" style="background-color:rgb(243,243,243)">Research Scholar,(SRM UNIV).</font></em></div></div></div></div></div>
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