<div dir="ltr"><div>Dear Prof. Laurence Marks<br></div><div><br></div><div>Thank you for your reply.</div><div>I tried to run the program for the case which I was sure about it and it has been run on other system.</div><div>Unfortunately, it was stopped at the first cycle in lapw1 with the following error:</div><div><br></div><font color="#ff0000">> stop error<br><br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455506CE1E9 Unknown Unknown Unknown<br>libmkl_def.so 00001455506D31C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506B8C72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455506D11E9 Unknown Unknown Unknown<br>libmkl_def.so 00001455506D61C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506BBC72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455506E21E9 Unknown Unknown Unknown<br>libmkl_def.so 00001455506E71C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506CCC72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455506C31E9 Unknown Unknown Unknown<br>libmkl_def.so 00001455506C81C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506ADC72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455506CE1E9 Unknown Unknown Unknown<br>libmkl_def.so 00001455506D31C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506B8C72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455506D41E9 Unknown Unknown Unknown<br>libmkl_def.so 00001455506D91C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506BEC72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455507051E9 Unknown Unknown Unknown<br>libmkl_def.so 000014555070A1C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506EFC72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br>libc.so.6 00001455524B30B3 Unknown Unknown Unknown<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>lapw1 000000000042F221 MAIN__ 61 lapw1_tmp_.F<br>lapw1 000000000040CCB5 calkpt_ 171 calkpt_tmp_.F<br>lapw1 0000000000425769 hns_ 613 hns_tmp_.F<br>lapw1 0000000000413233 dsyr2m_ 75 dsyr2m.f<br>libmkl_intel_lp64 0000145554EF0D99 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED09C3 Unknown Unknown Unknown<br>libmkl_intel_thre 0000145553ED43AC Unknown Unknown Unknown<br>libmkl_core.so 0000145552BF467C Unknown Unknown Unknown<br>libmkl_def.so 00001455506FA1E9 Unknown Unknown Unknown<br>libmkl_def.so 00001455506FF1C3 Unknown Unknown Unknown<br>libmkl_def.so 00001455506E4C72 Unknown Unknown Unknown<br>Image PC Routine Line Source <br>forrtl: severe (168): Program Exception - illegal instruction<br>Force-convergence not possible. Forces not present.<br> LAPW0 END<br>hup: Command not found.</font><br><div><font color="#ff0000"><br></font></div><div><font color="#000000">I was won</font>dering if you could help me solving the problem or let me know which file I should search for the type of error.</div><div>Thanks in advance.</div><div><br></div><div>Regards,</div><div>Mohaddeseh</div><div><br></div><div> Mohaddeseh Abbasnejad, <br>Assistant Professor of Physics,<br>Faculty of Physics,<br>Shahid Bahonar University of Kerman,<br>Kerman, Iran<br>P.O. Box 76169-133<br>Tel: +98 34 31322199<br>Fax: +98 34 33257434<br>Cellphone: +98 917 731 7514<br>E-Mail: <a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a><br>Website: <a href="http://academicstaff.uk.ac.ir/moabbasnejad" target="_blank">academicstaff.uk.ac.ir/moabbasnejad</a><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Apr 24, 2020 at 7:40 PM Laurence Marks <<a href="mailto:laurence.marks@gmail.com">laurence.marks@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"><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">This type of problem has been reported many times before. While there is always the possibility that it is something in the mixer, in 99.9999% of cases it occurs because some other program/step in the scf iteration has failed. There are multiple possibilities:</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">a) Something went wrong in lapw2, e.g. ghostbands</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">b) Something went wrong in lapw1, e.g. no linearization energies found</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">c) Something went wrong in lcore</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">d) The case was run in a "dirty" directory, with case.*broyd* files left over from another run.</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">Save the run, and re-initialize cleanly accepting all defaults then try again. </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Apr 24, 2020 at 4:20 AM Mohad Abbasnejad <<a href="mailto:mohaddeseh.abbasnejad@gmail.com" target="_blank">mohaddeseh.abbasnejad@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"><div>Dear experts,</div><div><br></div><div>Hello every one.</div><div>Recently, I have installed WIEN2k_19 on my system using intel ifort compiler 2013.5.192 and mkl. The program is compiled with the suggested compiler options.</div><div>After running the scf calculations, I receive the following error in cycle 5 without any file describing the error.</div><div>The following is what I got when the program is stopped.</div><div> <br></div><font color="#ff0000">> stop error<br><br>error: command /opt/install/WIEN2k_19.1/mixer mixer.def failed<br>0.0u 0.0s 0:00.55 10.9% 0+0k 1792+1560io 1pf+0w<br>> mixer (04:56:54) Segmentation fault (core dumped)<br>> lcore (04:56:54) 0.0u 0.0s 0:00.02 100.0% 0+0k 0+1008io 0pf+0w</font><br><div><font color="#ff0000"><br></font></div><div><font color="#000000">Any help woul</font>d be appreciated.</div><div><br></div><div>Regards,</div><div>Mohaddeseh</div><div><br></div><div> Mohaddeseh Abbasnejad, <br>Assistant Professor of Physics,<br>Faculty of Physics,<br>Shahid Bahonar University of Kerman,<br>Kerman, Iran<br>P.O. Box 76169-133<br>Tel: +98 34 31322199<br>Fax: +98 34 33257434<br>Cellphone: +98 917 731 7514<br>E-Mail: <a href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a><br>Website: <a href="https://urldefense.com/v3/__http://academicstaff.uk.ac.ir/moabbasnejad__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAbnhMTQiA$" target="_blank">academicstaff.uk.ac.ir/moabbasnejad</a> <br></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAaFcYITEw$" rel="noreferrer" target="_blank">https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAaFcYITEw$</a> <br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAaU-xLqXQ$" rel="noreferrer" target="_blank">https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!D3MRCkXjkXn9qoYtLfm2fNyZgEbrCf-orr33a9fSMt_Ne7ihdpjSIIVs7NXrdAaU-xLqXQ$</a> <br>
</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" target="_blank">www.numis.northwestern.edu/MURI</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>Albert Szent-Gyorgi</div></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote></div>