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<div class="moz-cite-prefix">Hard to know what is causing the
problem with the given information. Probably, there is still not
enough information provided.<br>
<br>
Maybe there is a more detailed error message in the lapwso.error
file or you might have to run directly "x lapwso -up -p" in a
terminal (if you are allowed to, or check the standard
output/error files produced by your job submission system if you
are required to use one) to get a more detailed error message.<br>
<br>
Although, it is suggested that you use the latest WIEN2k version,
because trying to solve the problem in WIEN2k 13.1 is likely just
a waste of time as clearly there were some problems with lapwso in
WIEN2k 13.1.<br>
<br>
Under "VERSION_14.1: 8.9.2014", next to SRC_lapwso, it has:<br>
<br>
<i>s</i><i>evere bug reappeared in the 13.1 version of init.f for
-orb and complex elements in case.vorbup</i><i> </i>[1]<br>
<br>
[1] <a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/updates/">http://www.wien2k.at/reg_user/updates/</a><br>
<br>
On 1/22/2015 8:22 AM, Brahim ABRAIME wrote:<br>
</div>
<blockquote
cite="mid:CANaL6SBZzcSqA3AXvLdcffR7T6C82f17iNE=H5nYsTdMQtEh6Q@mail.gmail.com"
type="cite">
<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 Ø® ÙÙا 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 Ø® ÙÙا 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 Ø® ÙÙا 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 Ø® ÙÙا 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 Ø® ÙÙا 22
14:35:02 WET 2015</b></div>
<div><b><br>
</b></div>
<div><b> cycle 1 <span class="" style="white-space:pre"> </span>(Ø®
ÙÙا 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>(Ø®
ÙÙا 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>
</div>
</blockquote>
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