<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Hi,<div class=""><br class=""></div><div class="">I have upgraded to 23.1 and encountered an error running qtl</div><div class=""><br class=""></div><div class=""><div class=""><i class="">running LAPW2 in parallel mode</i></div><div class=""><i class="">STOP LAPW2 - FERMI; weights written</i></div><div class=""><i class="">FERMI only</i></div><div class=""><i class="">0.229u 0.063s 0:00.13 215.3%<span class="Apple-tab-span" style="white-space:pre"> </span>0+0k 0+1312io 0pf+0w</i></div><div class=""><i class="">running QTL in parallel mode</i></div><div class=""><i class="">calculating QTL's from parallel vectors</i></div><div class=""><b class=""><i class="">so: Undefined variable.</i></b></div><div class=""><i class="">0.015u 0.005s 0:00.01 100.0%<span class="Apple-tab-span" style="white-space:pre"> </span>0+0k 0+24io 0pf+0w</i></div><div class=""><i class="">error: command /home/mcem-admin/wien2k/qtlpara qtl.def failed</i></div></div><div class=""><br class=""></div><div class="">The SCF ran to convergence (parallel, 6 cores on one Intel machine).</div><div class=""><br class=""></div><div class="">The error somewhat resembles those previously present in x_lapw fixed with the Github patches. “so” is defined in x_lapw (<b class="">set so</b>).</div><div class=""><br class=""></div><div class="">Happy to provide more details but is anyone aware of any need for a patch in 23.1?</div><div class=""><br class=""></div><div class="">Many thanks,</div><div class=""><br class=""></div><div class="">Tim.</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""><div class="">
<div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; font-variant-ligatures: normal; font-variant-east-asian: normal; font-variant-position: normal; line-height: normal; border-spacing: 0px;"><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span class="Apple-style-span" style="border-collapse: separate; font-variant-ligatures: normal; font-variant-east-asian: normal; font-variant-position: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; widows: 2; border-spacing: 0px;"><div style="color: rgb(0, 0, 0); font-family: Courier; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">--- <br class="">Dr. Tim Williams <br class="">Transmission Electron Microscope Manager<br class=""><br class="">Monash Centre for Electron Microscopy (MCEM)<br class="">Monash University <br class="">Room 103, 10 Innovation Walk, Clayton Campus<br class="">Wellington Road<br class="">Clayton VIC 3800<br class="">Australia<br class="">T: +61 (0) 3 9902 0721 <br class="">M: +61 (0) 401 853 850<br class="">e: <a href="mailto:timothy.williams@monash.edu" class="">timothy.williams@monash.edu</a></div><div style="color: rgb(0, 0, 0); font-family: Courier; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><br class=""></div><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">CRICOS Provider: Monash University<br class="">00008C/01857J<br class=""> <br class="">We acknowledge and pay respects to the Elders<br class="">and Traditional Owners of the land on which our<br class="">four Australian campuses stand.</div></span></div></span></div></div></div></div></div></div></div>
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