<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">Sorry, I didn’t seem to describe the problem very clearly, by mentioning sumpara. That’s just steps after the problem occurred.<div><br></div><div>Clearly speaking, it is LAPW2 crashed. </div><div><br></div><div>In case.dayfile, it may show something like this at the cycle where it crashes:</div><div><p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 10.023u 17.606s 28.77 96.02% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 10.081u 19.741s 30.82 96.75% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 9.400u 20.522s 30.45 98.26% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 9.062u 15.463s 25.87 94.79% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 10.489u 16.467s 28.05 96.08% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 9.620u 18.707s 29.74 95.25% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 9.086u 11.575s 21.86 94.52% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 9.446u 19.266s 30.11 95.34% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 9.492u 18.938s 28.82 98.63% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 9.397u 18.628s 28.51 98.27% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u15c1 8.589u 1.396s 10.25 97.33% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u16c1 8.436u 1.464s 10.72 92.27% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u17c1 8.675u 1.458s 10.80 93.80% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u18c1 8.857u 1.384s 10.55 97.06% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u19c1 8.542u 1.441s 10.64 93.82% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u20c1 8.505u 1.509s 10.77 92.90% 0+0k 0+0io 0pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> Summary of lapw2para:</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u14c1 user=452.054 wallclock=84644</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u15c1 user=8.589 wallclock=712.33</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u16c1 user=8.436 wallclock=735.47</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u17c1 user=8.675 wallclock=741.8</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u18c1 user=8.857 wallclock=730.06</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u19c1 user=8.542 wallclock=732.22</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"> bb4u20c1 user=8.505 wallclock=739.1</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;">** LAPW2 crashed!</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;">3.440u 20.832s 1:12.41 33.5% 0+0k 0+67272io 12pf+0w</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;">error: command /home/yz155/WIEN2k_24.1/lapw2cpara -dn -c dnlapw2.def failed</p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; min-height: 15px;"><br></p>
<p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;">> stop error</p><p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><br></p><p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;">As one can see for example, some cores on node bb4u14c1 did not run its lapw2 -dn job, therefore no corresponding scf2dn file produced. The dnlapw2 def files were produced though.</p><p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><br></p><p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;"><br></p><p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;">Best regards</p><p style="margin: 0px; font-style: normal; font-variant-caps: normal; font-stretch: normal; line-height: normal; font-family: "Helvetica Neue"; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal;">Yichen</p></div></body></html>