<div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div class="gmail_default" style="font-family:garamond,serif;color:rgb(0,0,0)">Hi QE users,</div><div class="gmail_default" style="font-family:garamond,serif;color:rgb(0,0,0)">I am getting the following error message when running the pp.x calculation with <b>iflag=3</b> and <b>output_format=7</b>:</div><div class="gmail_default" style="font-family:garamond,serif;color:rgb(0,0,0)"><br></div><div class="gmail_default"><div class="gmail_default"><span style="color:rgb(0,0,0);font-family:garamond,serif">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span><br></div><div class="gmail_default"><div class="gmail_default"><font color="#000000" face="garamond, serif">     Error in routine chdens (1):</font></div><div class="gmail_default"><font color="#000000" face="garamond, serif">     incompatible iflag/output_format</font></div><div class="gmail_default"><font color="#000000" face="garamond, serif"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font></div><div class="gmail_default"><span style="color:rgb(0,0,0);font-family:garamond,serif">     stopping ...</span><br></div><div class="gmail_default"><font color="#000000" face="garamond, serif">--------------------------------------------------------------------------</font></div><div class="gmail_default"><font color="#000000" face="garamond, serif">MPI_ABORT was invoked on rank 8 in communicator MPI_COMM_WORLD </font></div><div class="gmail_default"><font color="#000000" face="garamond, serif">with errorcode 1.</font></div><div class="gmail_default"><font color="#000000" face="garamond, serif"><br></font></div><div class="gmail_default"><font color="#000000" face="garamond, serif">NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.</font></div><div class="gmail_default"><font color="#000000" face="garamond, serif">You may or may not see output from other processes, depending on</font></div><div class="gmail_default"><font color="#000000" face="garamond, serif">exactly when Open MPI kills them.</font></div><div><br></div><div>I have been searching on internet a way to work around this but have not found any yet.</div><div><br></div><div><span style="color:rgb(51,51,51);font-family:q_serif,Georgia,Times,"Times New Roman","Hiragino Kaku Gothic Pro",Meiryo,serif">Could you please help me in sorting this out</span><br></div><div><span style="color:rgb(51,51,51);font-family:q_serif,Georgia,Times,"Times New Roman","Hiragino Kaku Gothic Pro",Meiryo,serif"><br></span></div><div>I am using <b>Quantum Espresso 6.1.0</b><br></div><div><b><br></b></div><div>My pp.x is the following:</div><div>&inputpp<br></div><div><div>          prefix = '$PREFIX',</div><div>          outdir = '/mnt/lustre/users/WORK_DIR',</div><div>         filplot = '$PREFIX.rho3dgnu',</div><div>        plot_num = 0,</div><div> /</div><div> &plot</div><div>             nfile = 1,</div><div>         filepp(1) = '$PREFIX.rho3dgnu',</div><div>         weight(1) = 1.0,</div><div>             iflag = 3,</div><div>     output_format = 7,</div><div>           fileout = '$PREFIX.rho3dgnu.dat',</div><div>              e1(1)=1.0, e1(2)=0.0, e1(3)=0.0,</div><div>              e2(1)=0.0, e2(2)=1.0, e2(3)=0.0,</div><div>              e3(1)=0.0, e3(2)=0.0, e3(3)=1.0,</div><div>              x0(1)=0.0, x0(2)=0.0, x0(3)=0.0      </div><div> /</div></div><div>Thank you<br></div><div>Pacome</div></div><div class="gmail_default"><b style="color:rgb(7,55,99);font-family:tahoma,sans-serif"><font color="#999999">_</font><font color="#666666">__</font></b><b style="color:rgb(7,55,99);font-family:tahoma,sans-serif;font-size:12.8px"><font color="#666666">_____________</font></b><br></div></div><div><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><font face="georgia, serif" style="font-size:12.8px"><font color="#073763">Pacome NGUIMEYA</font></font><div style="font-size:12.8px"><font color="#073763" face="georgia, serif">Ph.D. Candidate</font></div><div style="font-size:12.8px"><font color="#073763" face="georgia, serif">Computational Condensed Matter Physics</font></div><div style="font-size:12.8px"><font color="#073763" face="georgia, serif">University of Cape Town (UCT), South Africa</font></div><div style="font-size:12.8px"><font face="georgia, serif"><span style="font-size:12.8px"></span></font></div><div style="font-size:12.8px"><b style="font-size:small"><i><span lang="EN-US" style="font-family:Cambria,serif;color:green">“Be Yourself; everyone else is already taken.”</span></i><i><span lang="EN-US" style="font-family:Cambria,serif;color:green"> </span></i><i><span lang="EN-US" style="font-family:Cambria,serif;color:green">Oscar Wilde</span></i></b></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>