<div dir="ltr"><div>I don't see any reproducible problem. Attached what I got on my old desktop machine</div><div><br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Apr 14, 2019 at 4:26 PM Jibiao Li <<a href="mailto:jibiaoli@foxmail.com">jibiaoli@foxmail.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>Dear QE community,</div><div>I am performing phonon calculations using the QE 6.4.1(<span style="display:inline;float:none;background-color:transparent;color:rgb(0,0,0);font-family:Verdana;font-size:14px;font-style:normal;font-variant:normal;font-weight:400;letter-spacing:normal;line-height:21px;text-align:left;text-decoration:none;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px">N_ab.ph.disp.inp</span>), but the calculations always stopped unexpectedly with the message below. Please help me check out what's wrong with my calculations.</div><div>... ...</div><div> Mode symmetry, C_1 (1) point group:</div><div> freq ( 1 - 1) = 54.6 [cm-1] --> A <br> freq ( 2 - 2) = 206.7 [cm-1] --> A <br> freq ( 3 - 3) = 303.1 [cm-1] --> A <br> freq ( 4 - 4) = 905.0 [cm-1] --> A <br> freq ( 5 - 5) = 935.7 [cm-1] --> A <br> freq ( 6 - 6) = 1021.1 [cm-1] --> A </div><div> Calculation of q = -0.0000002 0.2841911 0.0000000<br>--------------------------------------------------------------------------<br></div><div>mpirun noticed that process rank 7 with PID 0 on node mu01 exited on signal 6 (Aborted).<br>--------------------------------------------------------------------------<br><br></div><div><br></div><div><div style="color:rgb(144,144,144);font-family:Arial Narrow;font-size:12px">------------------</div><div style="font-size:14px;font-family:Verdana;color:rgb(0,0,0)"><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Dr. Jibiao Li, Lecturer</b></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Department of Material Science and Engineering</b></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Yangtze Normal University</b></font></i></div><div><i><font face="Times New Roman"><font size="2"><font color="#0000ff"><b><span style="text-align:left;text-transform:none;line-height:21px;text-indent:0px;letter-spacing:normal;font-variant:normal;text-decoration:none;word-spacing:0px;display:inline;white-space:normal;float:none;background-color:transparent">Juxian Dadao 16#,</span> Fuling, Chongqing, China</b></font></font></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Email: <a href="mailto:jibiaoli@foxmail.com" target="_blank">jibiaoli@foxmail.com</a>, <a href="mailto:jibiao.li@hotmail.com" target="_blank">jibiao.li@hotmail.com</a></b></font></i></div><div><i><font size="2" face="Times New Roman" color="#0000ff"><b>Homepage: <a href="https://www.researchgate.net/profile/Jibiao_Li" target="_blank">https://www.researchgate.net/profile/Jibiao_Li</a></b></font></i></div>
</div></div><div> </div><div>N_ab.scf.inp</div><div> &CONTROL<br> calculation = 'scf' ,<br> restart_mode = 'from_scratch' ,<br> outdir = './' ,<br> pseudo_dir = '/home/jibiaoli/pseudo/' ,<br> prefix = 'N_ab' ,<br> verbosity = 'high' ,<br> etot_conv_thr = 1.0D-5 ,<br> forc_conv_thr = 1.0D-5 ,<br> tstress = .true. ,<br> tprnfor = .true. ,<br> /<br> &SYSTEM<br> ibrav = 0,<br> celldm(1) = 4.3308753444,<br> nat = 2,<br> ntyp = 1,<br> ecutwfc = 41 ,<br> ecutrho = 410 ,<br> occupations = 'smearing' ,<br> degauss = 0.05D0 ,<br> smearing = 'gaussian' ,<br> assume_isolated = '2D' ,<br> vdw_corr = 'grimme-d2' ,<br> /<br> &ELECTRONS<br> electron_maxstep = 299,<br> conv_thr = 1.0D-11 ,<br> mixing_beta = 0.3D0 ,<br> diagonalization = 'david' ,<br> /<br>CELL_PARAMETERS alat <br> 1.015779316 0.000000872 0.000000000<br> -0.507888903 0.879689384 0.000000000<br> 0.000000000 0.000000000 8.000000000<br>ATOMIC_SPECIES<br> N 14.00700 N.pbe-n-kjpaw_psl.1.0.0.UPF <br>ATOMIC_POSITIONS angstrom <br> N 1.145901451 0.661593103 0.702137703 <br> N 0.000000000 0.000000000 0.000000000 0 0 0 <br>K_POINTS automatic <br> 12 12 1 0 0 0 <br><br></div><div>N_ab.ph.disp.inp <br></div><div>Phonon dispersions for N_ab<br> &inputph<br> tr2_ph=1.0d-14,<br> prefix='N_ab',<br> outdir='./',<br> alpha_mix(1)=0.7,<br> fildyn='N_ab.disp.dyn',<br> ldisp=.true.,<br> nq1=8, nq2=8, nq3=1,<br> /<br><br></div><div><br></div>_______________________________________________<br>
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