<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><signature id="local-80497166-1ed1">--<br><span style="font-size:0.9em;color:gray;">Lorenzo Paulatto - Paris<span></span></span></signature></div><div class="gmail_quote_attribution">On Jul 21 2021, at 10:40 pm, Hong Tang <tanghong992@gmail.com> 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=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D" title="http://Si.1.nscf.in">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=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D" title="http://libc-2.17.so">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 (www.max-centre.eu)</div><div>users mailing list users@lists.quantum-espresso.org</div><div>https://lists.quantum-espresso.org/mailman/listinfo/users</div></blockquote><img class="mailspring-open" alt="Sent from Mailspring" width="0" height="0" style="border:0; width:0; height:0;" src="https://link.getmailspring.com/open/49373924-CD7B-44BD-AF56-9EB9AF900981@getmailspring.com?me=ca1a67e4&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D">