<div dir="ltr"><div dir="ltr">... compilation with or without OpenMP activated, OpenMP threads<br></div><div dir="ltr"> 4.  Do tests in test-suite give the same problem?<br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jul 22, 2021 at 12:17 PM Lorenzo Paulatto <<a href="mailto:paulatz@gmail.com" target="_blank">paulatz@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>Hello Hong</div><ol><li><div>which intel compiler version are you using? how did you compile the code, did you specify any compilation option by hand?</div></li><li><div>can you provide the full input and pseudopotential that cause the error</div></li><li><div>can you provide the full details of the code executio, number of CPUs, pools, scripts use to run the codes,...</div></li></ol><div>regards</div><br><div><u></u>--<br><span style="font-size:0.9em;color:gray">Lorenzo Paulatto - Paris<span></span></span><u></u></div><div>On Jul 21 2021, at 10:40 pm, Hong Tang <<a href="mailto:tanghong992@gmail.com" target="_blank">tanghong992@gmail.com</a>> wrote:</div><blockquote><div><div>Dear Fabrizio and Paolo,</div><div><br></div><div>The issue is still there.</div><div><br></div><div>I installed Qe6.7 and 6.8 with libxc.5.1.5 with intel compiler. I think the installations look good. I got those .x  files in the bin folder. </div><div><br></div><div>Both versions are good when run pw.x for "scf" with the silicon example.  However, both failed for "nscf" runs, even with the pbe functional. the errors below:</div><div> ]$  /home/hongtang/QE68_Libxc_intel/qe-6.8/bin/pw.x -inp <a href="https://link.getmailspring.com/link/49373924-CD7B-44BD-AF56-9EB9AF900981@getmailspring.com/0?redirect=http%3A%2F%2FSi.1.nscf.in&recipient=cC5naWFubm96emlAZ21haWwuY29t" title="http://Si.1.nscf.in" target="_blank">Si.1.nscf.in</a> > Si.1.nscf.out</div><div>forrtl: severe (174): SIGSEGV, segmentation fault occurred</div><div>Image              PC                Routine            Line        Source            </div><div>pw.x               0000000001A701C4  Unknown               Unknown  Unknown</div><div>libpthread-2.17.s  00002AAAAFAF7630  Unknown               Unknown  Unknown</div><div>libiomp5.so        00002AAAAF83A8E0  Unknown               Unknown  Unknown</div><div>libiomp5.so        00002AAAAF83D1CC  Unknown               Unknown  Unknown</div><div>pw.x               0000000001AB753B  Unknown               Unknown  Unknown</div><div>pw.x               0000000001075181  Unknown               Unknown  Unknown</div><div>pw.x               000000000102353A  Unknown               Unknown  Unknown</div><div>pw.x               0000000001090AAD  Unknown               Unknown  Unknown</div><div>pw.x               000000000107E747  Unknown               Unknown  Unknown</div><div>pw.x               0000000001025976  Unknown               Unknown  Unknown</div><div>pw.x               00000000009C6A35  qexsd_module_mp_q         295  qexsd.f90</div><div>pw.x               000000000055A0E4  read_conf_from_fi          48  read_conf_from_file.f90</div><div>pw.x               000000000049D6E8  iosys_                   1480  input.f90</div><div>pw.x               0000000000582643  run_pwscf_                101  run_pwscf.f90</div><div>pw.x               0000000000409CF1  MAIN__                     85  pwscf.f90</div><div>pw.x               0000000000409B5E  Unknown               Unknown  Unknown</div><div><a href="https://link.getmailspring.com/link/49373924-CD7B-44BD-AF56-9EB9AF900981@getmailspring.com/1?redirect=http%3A%2F%2Flibc-2.17.so&recipient=cC5naWFubm96emlAZ21haWwuY29t" title="http://libc-2.17.so" target="_blank">libc-2.17.so</a>       00002AAAAFD26555  __libc_start_main     Unknown  Unknown</div><div>pw.x               0000000000409A69  Unknown               Unknown  Unknown</div><div><br></div><div> </div><div><br></div><div>Please help.</div><div><br></div><div>Hong</div><div><br></div></div><div>_______________________________________________</div><div>Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" target="_blank">www.max-centre.eu</a>)</div><div>users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a></div><div><a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div></blockquote><img alt="Sent from Mailspring" style="border:0px none;width:0px;height:0px" src="https://link.getmailspring.com/open/49373924-CD7B-44BD-AF56-9EB9AF900981@getmailspring.com?me=ca1a67e4&recipient=cC5naWFubm96emlAZ21haWwuY29t" width="0" height="0"></blockquote></div><br clear="all"><br>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 206, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div></div>