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<div class="moz-cite-prefix">Since the crash happens in lapw2, in
the lapw2para_lapw script file, it looks like messages might be
written to the .time2_*, .stdout2_*, or :parallel files depending
on the settings in your parallel_options and .machines file. So
you could try checking for error messages in these files with
something like:<br>
<br>
cat .time2_* <br>
cat .stdout2_* <br>
cat :parallel<br>
<br>
You might also have to run the last command given in the :log file
by itself or look into the input/output files for the program
(refer to 'Table 4.3: Input and output files of main programs in
an SCF cycle' in the WIEN2k usersguide) that crashed to determine
the cause of the error [
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-December/011904.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2008-December/011904.html</a>
].<br>
<br>
Based on reports of the "Error in SUMPARA" before [
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-June/009291.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-June/009291.html</a>
,
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05637.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05637.html</a>
], it might happen if a case.scf2* file cannot be found.<br>
<br>
On 1/1/2016 1:14 PM, hassan jamnejad wrote:<br>
</div>
<blockquote
cite="mid:CANowigN+J1EqVucHDE_Fo4V_t+U-2Z-3cjtkVQBztyAS3nNssA@mail.gmail.com"
type="cite">
<div dir="ltr">
<p class="MsoNormal">Dear Prof. Peter Blaha,<br>
<br>
I want to do a LDA+U calculation for a compound, First I ran
SCF calculation
using 4 x 8 (= 32 processors) in my <a moz-do-not-send="true"
name="__DdeLink__88_1609830577">cluster</a>
. But the job terminates with the following errors <br>
<br>
</p>
<h3><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif;font-weight:normal">in
dayfile:</span></h3>
<p class=""><i><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif">**
LAPW2 crashed!</span></i></p>
<p class=""><i><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif">1.6u
3.1s
0:07.72 61.7% 0+0k 0+1776io 0pf+0w</span></i></p>
<p class=""><i><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif">error:
command
/home/pars/wien2k/13.1/lapw2para
-up uplapw2.def failed</span></i><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif"><br>
<br>
</span></p>
<p class="MsoNormal">in Lapw2.error file:<br>
<i>** testerror: Error in Parallel LAPW2</i></p>
<p class=""><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif">in
upsumpara.error
file:</span></p>
<p class=""><i><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif">Error
in
SUMPARA<br>
<br>
</span></i></p>
<span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif">in
the same time if I run
LDA+U calculation in serial mode the SCF
calculation was run successfully. Also when
I just run LDA calculation in parallel mode the SCF
calculation was run successfully too. This means neither LDA+U
calculation nor parallel calculation have problem. Meanwhile I
searched in the
mail list. I found some similar errors, but I </span><span
class=""><span
style="font-size:11pt;line-height:115%;font-family:Arial,sans-serif;color:rgb(84,84,84);background-image:initial;background-repeat:initial">could</span></span><span
style="font-size:11pt;line-height:115%;font-family:Calibri,sans-serif">
not find my answer. Please suggest me how to rectify
above errors?<br>
<br>
Thanks in advance<br>
<br>
Regards<br>
H. Jamnejad
</span></div>
</blockquote>
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