<div dir="ltr">Dear Masters:<div><br></div><div>I just installed QE6.8 without libxc. It results in the same problems for "nscf" calculations. </div><div>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>pw.x               000000000112C714  Unknown               Unknown  Unknown<br>libpthread-2.17.s  00002AAAAFAF7630  Unknown               Unknown  Unknown<br>libiomp5.so        00002AAAAF83A8E0  Unknown               Unknown  Unknown<br>libiomp5.so        00002AAAAF83D1CC  Unknown               Unknown  Unknown<br>pw.x               0000000001173A8B  Unknown               Unknown  Unknown<br>pw.x               00000000010670F1  Unknown               Unknown  Unknown<br>pw.x               00000000010154AA  Unknown               Unknown  Unknown<br>pw.x               0000000001082A1D  Unknown               Unknown  Unknown<br>pw.x               00000000010706B7  Unknown               Unknown  Unknown<br>pw.x               00000000010178E6  Unknown               Unknown  Unknown<br>pw.x               00000000009C68B5  qexsd_module_mp_q         295  qexsd.f90<br>pw.x               0000000000559F64  read_conf_from_fi          48  read_conf_from_file.f90<br>pw.x               000000000049D568  iosys_                   1480  input.f90<br>pw.x               00000000005824C3  run_pwscf_                101  run_pwscf.f90<br>pw.x               0000000000409B71  MAIN__                     85  pwscf.f90<br>pw.x               00000000004099DE  Unknown               Unknown  Unknown<br><a href="http://libc-2.17.so">libc-2.17.so</a>       00002AAAAFD26555  __libc_start_main     Unknown  Unknown<br>pw.x               00000000004098E9  Unknown               Unknown  Unknown<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Jul 21, 2021 at 4:53 PM Hong Tang <<a href="mailto:tanghong992@gmail.com">tanghong992@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 dir="ltr">Dear QE Masters:<div><br></div><div>It looks  libpthread-2.17.s  , libiomp5.so   ,and  libiomp5.so  are intel  mkl libs.  I am sure the intel libs are correct because I use it for other code compilations and run ok.   </div><div><br></div><div>Please let me know what the problem is.</div><div><br></div><div>Best,</div><div>Hong</div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Jul 21, 2021 at 4:40 PM Hong Tang <<a href="mailto:tanghong992@gmail.com" target="_blank">tanghong992@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 dir="ltr">Dear Fabrizio and Paolo,<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="http://Si.1.nscf.in" target="_blank">Si.1.nscf.in</a> > Si.1.nscf.out</div>forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>Image              PC                Routine            Line        Source             <br>pw.x               0000000001A701C4  Unknown               Unknown  Unknown<br>libpthread-2.17.s  00002AAAAFAF7630  Unknown               Unknown  Unknown<br>libiomp5.so        00002AAAAF83A8E0  Unknown               Unknown  Unknown<br>libiomp5.so        00002AAAAF83D1CC  Unknown               Unknown  Unknown<br>pw.x               0000000001AB753B  Unknown               Unknown  Unknown<br>pw.x               0000000001075181  Unknown               Unknown  Unknown<br>pw.x               000000000102353A  Unknown               Unknown  Unknown<br>pw.x               0000000001090AAD  Unknown               Unknown  Unknown<br>pw.x               000000000107E747  Unknown               Unknown  Unknown<br>pw.x               0000000001025976  Unknown               Unknown  Unknown<br>pw.x               00000000009C6A35  qexsd_module_mp_q         295  qexsd.f90<br>pw.x               000000000055A0E4  read_conf_from_fi          48  read_conf_from_file.f90<br>pw.x               000000000049D6E8  iosys_                   1480  input.f90<br>pw.x               0000000000582643  run_pwscf_                101  run_pwscf.f90<br>pw.x               0000000000409CF1  MAIN__                     85  pwscf.f90<br>pw.x               0000000000409B5E  Unknown               Unknown  Unknown<br><a href="http://libc-2.17.so" target="_blank">libc-2.17.so</a>       00002AAAAFD26555  __libc_start_main     Unknown  Unknown<br>pw.x               0000000000409A69  Unknown               Unknown  Unknown<br><div><br></div><div> </div><div><br></div><div>Please help.</div><div><br></div><div>Hong</div><div><br></div></div>
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