<div dir="ltr">I use parallel calculation<div><br><div>When I choose spin orbit in the self consistent calculation it does not work,but spin polarized calculation work without any problem</div><div><br></div><div>With spin orbit,it says: "error in parallel LAPWSO" </div></div><div><br></div><div><br></div><div>And this is the dayfile:</div><div><br></div><div><b><br></b></div><div><div><b>> stop error</b></div><div><b><br></b></div><div><b>error: command /export/users/softmgr/wien2k_13/lapwsopara -up lapwso.def failed</b></div><div><b>0.2u 0.1s 0:06.59 5.7% 0+0k 1328+1048io 16pf+0w</b></div><div><b>** LAPWSO crashed!</b></div><div><b>> lapwso -up -p <span class="" style="white-space:pre"> </span>(14:59:40) running LAPWSO in parallel mode</b></div><div><b>0.8u 0.4s 12:20.35 0.1% 0+0k 80+1368io 2pf+0w</b></div><div><b> ubuntu3<span class="" style="white-space:pre"> </span> k=12<span class="" style="white-space:pre"> </span> user=646.573<span class="" style="white-space:pre"> </span> wallclock=657.44</b></div><div><b> ubuntu2<span class="" style="white-space:pre"> </span> k=12<span class="" style="white-space:pre"> </span> user=625.837<span class="" style="white-space:pre"> </span> wallclock=1469.3</b></div><div><b> ubuntu1<span class="" style="white-space:pre"> </span> k=12<span class="" style="white-space:pre"> </span> user=650.56<span class="" style="white-space:pre"> </span> wallclock=661.94</b></div><div><b> Summary of lapw1para:</b></div><div><b> ubuntu3(6) 320.568u 2.421s 5:25.58 99.2%<span class="" style="white-space:pre"> </span>0+0k 16+247880io 0pf+0w</b></div><div><b> ubuntu3(6) 326.005u 2.438s 5:31.86 98.9%<span class="" style="white-space:pre"> </span>0+0k 7520+248400io 0pf+0w</b></div><div><b> ubuntu2(6) 312.346u 3.215s 12:11.90 43.1%<span class="" style="white-space:pre"> </span>0+0k 16+249160io 0pf+0w</b></div><div><b> ubuntu2(6) 313.491u 4.339s 12:17.40 43.1%<span class="" style="white-space:pre"> </span>0+0k 1840+278960io 9pf+0w</b></div><div><b> ubuntu1(6) 322.960u 3.014s 5:27.96 99.3%<span class="" style="white-space:pre"> </span>0+0k 16+248584io 0pf+0w</b></div><div><b> ubuntu1(6) 327.600u 1.931s 5:33.98 98.6%<span class="" style="white-space:pre"> </span>0+0k 7520+255768io 0pf+0w</b></div><div><b>6 number_of_parallel_jobs</b></div><div><b>running LAPW1 in parallel mode (using .machines.help)</b></div><div><b>-> starting parallel LAPW1 jobs at خ ينا 22 14:47:20 WET 2015</b></div><div><b>> lapw1 -dn -p <span class="" style="white-space:pre"> </span>(14:47:20) starting parallel lapw1 at خ ينا 22 14:47:20 WET 2015</b></div><div><b>0.8u 0.4s 11:47.38 0.1% 0+0k 632+1384io 8pf+0w</b></div><div><b> ubuntu3<span class="" style="white-space:pre"> </span> k=12<span class="" style="white-space:pre"> </span> user=634.516<span class="" style="white-space:pre"> </span> wallclock=648.84</b></div><div><b> ubuntu2<span class="" style="white-space:pre"> </span> k=12<span class="" style="white-space:pre"> </span> user=614.464<span class="" style="white-space:pre"> </span> wallclock=1405.39</b></div><div><b> ubuntu1<span class="" style="white-space:pre"> </span> k=12<span class="" style="white-space:pre"> </span> user=640.877<span class="" style="white-space:pre"> </span> wallclock=654.28</b></div><div><b> Summary of lapw1para:</b></div><div><b> ubuntu3(6) 314.829u 2.519s 5:20.78 98.9%<span class="" style="white-space:pre"> </span>0+0k 1864+249856io 0pf+0w</b></div><div><b> ubuntu3(6) 319.687u 2.459s 5:28.06 98.1%<span class="" style="white-space:pre"> </span>0+0k 5696+250448io 0pf+0w</b></div><div><b> ubuntu2(6) 307.444u 3.537s 11:44.61 44.1%<span class="" style="white-space:pre"> </span>0+0k 3168+252984io 20pf+0w</b></div><div><b> ubuntu2(6) 307.020u 3.027s 11:40.78 44.2%<span class="" style="white-space:pre"> </span>0+0k 2808+256136io 16pf+0w</b></div><div><b> ubuntu1(6) 317.757u 3.124s 5:25.38 98.6%<span class="" style="white-space:pre"> </span>0+0k 1864+250688io 0pf+0w</b></div><div><b> ubuntu1(6) 323.120u 1.893s 5:28.90 98.8%<span class="" style="white-space:pre"> </span>0+0k 5696+257752io 0pf+0w</b></div><div><b>6 number_of_parallel_jobs</b></div><div><b>running LAPW1 in parallel mode (using .machines)</b></div><div><b>-> starting parallel LAPW1 jobs at خ ينا 22 14:35:32 WET 2015</b></div><div><b>> lapw1 -up -p <span class="" style="white-space:pre"> </span>(14:35:32) starting parallel lapw1 at خ ينا 22 14:35:32 WET 2015</b></div><div><b>15.0u 0.2s 0:30.39 50.0% 0+0k 592+15552io 7pf+0w</b></div><div><b>running lapw0 in single mode</b></div><div><b>-------- .machine0 : processors</b></div><div><b>> lapw0 -p<span class="" style="white-space:pre"> </span>(14:35:02) starting parallel lapw0 at خ ينا 22 14:35:02 WET 2015</b></div><div><b><br></b></div><div><b> cycle 1 <span class="" style="white-space:pre"> </span>(خ ينا 22 14:35:02 WET 2015) <span class="" style="white-space:pre"> </span>(400/99 to go)</b></div><div><b><br></b></div><div><b> start <span class="" style="white-space:pre"> </span>(خ ينا 22 14:35:02 WET 2015) with lapw0 (400/99 to go)</b></div><div><b><br></b></div><div><b><br></b></div><div><b>using WIEN2k_13.1 (Release 17/6/2013) in /export/users/softmgr/wien2k_13</b></div><div><b>on ubuntu2 with PID 26312</b></div><div><b>Calculating HoMn2O5-unitcell in /export/users/user1/WIEN2k/tamerd/HoMn2O5-spinorbit/HoMn2O5-unitcell</b></div><div><b><br></b></div><div><br></div><div><br></div></div></div><div class="gmail_extra"><br><div class="gmail_quote">2015-01-22 13:09 GMT+00:00 Lyudmila Dobysheva <span dir="ltr"><<a href="mailto:lyuka17@mail.ru" target="_blank">lyuka17@mail.ru</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">On 22.01.2015 15:24, Brahim ABRAIME wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I would like to know how to do parallel execution with spin orbit<br>
calculation because it does not work for me<br>
</blockquote>
<br></span>
You are to describe in details how it does not work.<br>
Without information nobody can help.<br>
<br>
Best wishes<br>
Lyudmila Dobysheva<br>
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</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div><div><div><font><span style="background-color:rgb(255,255,255)"><b><font face="garamond,serif">Cordialement<br><br>******************************<br></font></b></span></font></div><font><span style="background-color:rgb(255,255,255)"><b><font face="garamond,serif">B.ABRAIME<br></font></b></span></font></div><font><span style="background-color:rgb(255,255,255)"><b><font face="garamond,serif">PhD au laboratoire de magnétisme et physique des hautes énergies<br></font></b></span></font></div><font><span style="background-color:rgb(255,255,255)"><b><font face="garamond,serif">LMPHE<br></font></b></span></font></div><font><span style="background-color:rgb(255,255,255)"><b><font face="garamond,serif">Faculté des sciences Rabat<br></font></b></span></font></div><span style="background-color:rgb(255,255,255)"><font face="garamond,serif"><font><b>Université Mohamed V</b></font></font></span></div><div><span style="background-color:rgb(255,255,255)"><font face="garamond,serif"><font><b>GSM: (+212) 6 72 48 67 77<br>******************************</b></font><br></font></span></div></div></div></div></div></div>
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