<div dir="ltr">Dear Prof. Laurence Marks,<div><br></div><div>I cleaned the contents of the folder totally and started reinitializing it again via terminal (not graphically). Every thing was OK. However, when I do scf calculation in serial mode, it is OK. But, after doing that in parallel mode, I receive the following error:</div><div><br><font color="#ff0000">hup: Command not found.<br>LAPW0 END<br>forrtl: severe (257): formatted I/O to unit open for unformatted transfers, unit 71, file /home/hana/WIEN2k/test/test-19/test-19.nsh<br>Image PC Routine Line Source <br>lapw1 00000000004F53DE Unknown Unknown Unknown<br>lapw1 00000000004F3E76 Unknown Unknown Unknown<br>lapw1 00000000004AC5E2 Unknown Unknown Unknown<br>lapw1 000000000045E2AC Unknown Unknown Unknown<br>lapw1 000000000045D7CC Unknown Unknown Unknown<br>lapw1 000000000049E70B Unknown Unknown Unknown<br>lapw1 000000000040581B atpar_ 130 atpar_tmp_.F<br>lapw1 000000000042D3D9 inilpw_ 418 inilpw.f<br>lapw1 000000000042EF66 MAIN__ 42 lapw1_tmp_.F<br>lapw1 0000000000404B4C Unknown Unknown Unknown<br>libc.so.6 000014554D9420B3 Unknown Unknown Unknown<br>lapw1 0000000000404A4E Unknown Unknown Unknown<br> LAPW1 END<br> LAPW1 END<br> LAPW1 END<br><br>> stop error</font><br></div><div><font color="#ff0000"><br></font></div><div><font color="#000000">Woul</font>d you please guide me?</div><div><br></div><div>Thanks a lot.</div><div><br></div><div>Regards,</div><div>Mohaddeseh</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Apr 24, 2020 at 10:55 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 dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:rgb(0,0,0)">It stopped in lapw1. Reinitialize and try again, accepting all defaults. It may be that it was run with an old version, or something else was wrong. <br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Apr 24, 2020 at 12:25 PM 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 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></font><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="https://urldefense.com/v3/__http://academicstaff.uk.ac.ir/moabbasnejad__;!!Dq0X2DkFhyF93HkjWTBQKhk!H1YFKYqxL7H5jPV-Py-h_qUS4Yyattmm4G809tUuP1Hnkqz4NloQsfbpHxiZ19cF4xLEOA$" 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" target="_blank">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 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 style="font-family:verdana,sans-serif;color:rgb(0,0,0)">a) Something went wrong in lapw2, e.g. ghostbands</div><div 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 style="font-family:verdana,sans-serif;color:rgb(0,0,0)">c) Something went wrong in lcore</div><div 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 style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br></div><div 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>
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</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>
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</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></div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><font face="arial, sans-serif">---------------------------------------------------------<br>Mohaddeseh Abbasnejad, <br>Assistant Professor of Physics,<br>Faculty of Physics, </font><div><font face="arial, sans-serif">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>---------------------------------------------------------</font><br></div></div></div>