<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div dir="ltr" id="yui_3_16_0_1_1428648420886_335925"><span id="yui_3_16_0_1_1428648420886_336382">Dear all,</span></div><div id="yui_3_16_0_1_1428648420886_335931" dir="ltr"><br><span></span></div><div id="yui_3_16_0_1_1428648420886_335957" dir="ltr"><span id="yui_3_16_0_1_1428648420886_335956">I know this question is on the list of FAQ of QE but it seems strange in my case. I have an error while doing phonon calculation. The error is: <br></span></div><div id="yui_3_16_0_1_1428648420886_335999" dir="ltr"><span id="yui_3_16_0_1_1428648420886_335998"><br></span></div><div id="yui_3_16_0_1_1428648420886_336001" dir="ltr"><span id="yui_3_16_0_1_1428648420886_335998"> Representation 10 2 modes -E L_3 To be done<br style="" class=""><br style="" class=""> Representation 11 2 modes -E L_3 To be done<br style="" class=""><br style="" class=""> Representation 12 2 modes -E L_3 To be done<br style="" class=""><br style="" class=""><br style="" class=""><br style="" class=""> Alpha used in Ewald sum = 2.8000<br style="" class=""><br style="" class=""> negative rho (up, down): 2.186E-03 0.000E+00<br style="" class=""> PHONON : 47.79s CPU 55.67s WALL<br style="" class=""><br style="" class=""><br style="" class=""><br style="" class=""> Representation # 1 mode # 1<br style="" class=""><br style="" class=""> Self-consistent Calculation<br style="" class=""> <br style="" class=""> Pert. # 1: Fermi energy shift (Ry) = -1.3453E+00 -2.1176E-22<br style="" class=""><br style="" class=""> iter # 1 total cpu time : 118.4 secs av.it.: 11.8<br style="" class=""> thresh= 1.000E-02 alpha_mix = 0.100 |ddv_scf|^2 = 8.305E-04<br style="" class=""> <br style="" class=""> Error in routine davcio (22):<br style="" class=""> error while writing from file "/pfs/work3/workspace/scratch/se3624-TiSe2-doping-0/dispersion-bilayer2/0.001/charge0/./_ph0/TiSe2-bi.0.001.0.dwf17</span></div><div id="yui_3_16_0_1_1428648420886_335992"><div id="yui_3_16_0_1_1428648420886_336075"> </div><div id="yui_3_16_0_1_1428648420886_336091" dir="ltr">This error is suddenly appear while ph.x is running. I have checked the disk space as well as permission of writing. All of these is not the problem because I can do pw.x for relax and scf calculation in the same folder. The error is only happened in phonon calculation. <br></div><div id="yui_3_16_0_1_1428648420886_336113" dir="ltr"><br></div><div id="yui_3_16_0_1_1428648420886_336346" dir="ltr">Do you know where is the code (subroutine) that contains this read- or
write-statement for phonon calculation? I would like to send this
subroutine to the cluster admin but I can not find it. </div><div id="yui_3_16_0_1_1428648420886_336114" dir="ltr"><br></div><div id="yui_3_16_0_1_1428648420886_336357" dir="ltr">Could you give me any hint to overcome this issue? </div><div id="yui_3_16_0_1_1428648420886_336323" dir="ltr"><br></div><div id="yui_3_16_0_1_1428648420886_336324" dir="ltr">With many thanks,</div><div id="yui_3_16_0_1_1428648420886_336360" dir="ltr">Loc Duong<br></div><div id="yui_3_16_0_1_1428648420886_336128" dir="ltr"><br></div></div><div id="yui_3_16_0_1_1428648420886_335990"><div id="yui_3_16_0_1_1428648420886_335989">Best regards,
<br>-----------------------------------------------
<br>Dinh Loc Duong , Ph.D
<br>Postdoctoral Researcher, Department of Nanoscience
<br>Max Planck Institute for Solid State Research
<br>Heisenbergstrasse 1, D-70569 Stuttgart, Germany
<br>Email: mambom1902@yahoo.com, l.duong@fkf.mpg.de
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