<div dir="auto">The energy file is produced by lapw1, and does not exust. Hence lapw1 did not run correctly, you need to inspect the output file (case.output1*) and error files to see why.<br><br><div data-smartmail="gmail_signature">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Jan 27, 2020, 03:41 Riyajul Islam <<a href="mailto:riyajul80@gmail.com">riyajul80@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><pre><span style="font-family:arial,sans-serif"><font size="2">Dear Prof. Peter Blaha,
I am running SCF calculation of a ferrite compound in parallel mode. While lapw1 runs fine but the job terminates with an error in Lapw2 as<br><br>** LAPW2 crashed!
0.1u 0.0s 0:00.13 107.6% 0+0k 0+128io 0pf+0w
error: command /home/physics/Wien2k_19.1/lapw2para -up uplapw2.def failed
> stop error<br><br></font></span></pre><pre><span style="font-family:arial,sans-serif"><font size="2">The <b>uplapw2.error</b> file contains this <br> <br>'LAPW2' - can't open unit: 30 <br> 'LAPW2' - filename: Fe3O4.energyup_1 <br>** testerror: Error in Parallel LAPW2<br></font></span></pre><div><br></div><div>Kindly suggest me some solution for this issue.</div><div><br></div><div><br></div><div>With regards<br></div><div><br>-- <br><div dir="ltr" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><font color="#444444">Riyajul Islam</font><div><font color="#444444">Ph.D Scholar</font></div><div><font color="#444444">National Institute of Technology Nagaland<br></font></div><div><div><font face="arial, helvetica, sans-serif" color="#444444">Chumukedima, Dimapur</font></div><div><font face="arial, helvetica, sans-serif" color="#444444">Nagaland 797103, India</font></div></div><div><br></div></div></div></div></div></div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank" rel="noreferrer">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=SuJO3fluIRyGmNy7A0BaOu5XWj1QWbXaSOZXg9Ql7m8&s=Rgkzl-EpMWnomklN42XkoW33OGQ5uHoMVQri_yx5Z8A&e=" rel="noreferrer noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__zeus.theochem.tuwien.ac.at_mailman_listinfo_wien&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=SuJO3fluIRyGmNy7A0BaOu5XWj1QWbXaSOZXg9Ql7m8&s=Rgkzl-EpMWnomklN42XkoW33OGQ5uHoMVQri_yx5Z8A&e=</a> <br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=SuJO3fluIRyGmNy7A0BaOu5XWj1QWbXaSOZXg9Ql7m8&s=Gz8wLwAk933E7MiQSfla2JAD31nCIlNzW6zVrBdQPug&e=" rel="noreferrer noreferrer" target="_blank">https://urldefense.proofpoint.com/v2/url?u=http-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_index.html&d=DwICAg&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=SuJO3fluIRyGmNy7A0BaOu5XWj1QWbXaSOZXg9Ql7m8&s=Gz8wLwAk933E7MiQSfla2JAD31nCIlNzW6zVrBdQPug&e=</a> <br>
</blockquote></div>