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<p>It looks like you are using WIEN2k 14.2. Do you have the mixer
write patch applied:<br>
</p>
<p><br>
</p>
<p><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13760.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13760.html</a><br>
</p>
<p><br>
</p>
<p>There might have been other bugs too [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ]. Have you
tried a new WIEN2k version? The new version might have a code
fix.<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 10/4/2017 8:17 AM, Md. Fhokrul Islam
wrote:<br>
</div>
<blockquote type="cite"
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<p>Hi Marks,</p>
<p><br>
</p>
<p>Thanks you for your reply. I did check
Tic.scf1up/dn, TiC.scf2up/dn and TiC.lapwso files but all of
these</p>
<p>files look ok. There is no error. Only error message I got in
TiC.dayfile that I mentioned earlier:</p>
<p><br>
</p>
<p><span style="font-size: 12pt;">Last three line of
TiC.dayfile:</span></p>
<p><span style="font-size: 12pt;"><br>
</span></p>
<p><span style="font-size: 12pt;">> lcore -dn (15:43:38)
0.017u 0.003s 0:00.13 7.6% 0+0k 0+264io 0pf+0w</span><br>
</p>
<div>> mixer (15:43:38) 0.037u 0.007s 0:00.13 23.0%
0+0k 0+32io 0pf+0w</div>
<div>error: command /bionano2/Wien2k14.2/mixer mixer.def
failed</div>
<div><br>
</div>
<p>As I mentioned earlier it occurs only when I do spin-orbit
calculation.</p>
<p><br>
</p>
<p><br>
</p>
<p>Thanks,</p>
<p>Fhokrul</p>
<br>
<br>
<div style="color: rgb(0, 0, 0);">
<hr tabindex="-1" style="display:inline-block; width:98%">
<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt"
face="Calibri, sans-serif" color="#000000"><b>From:</b>
Wien <a class="moz-txt-link-rfc2396E" href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at"><wien-bounces@zeus.theochem.tuwien.ac.at></a> on
behalf of Laurence Marks <a class="moz-txt-link-rfc2396E" href="mailto:L-marks@northwestern.edu"><L-marks@northwestern.edu></a><br>
<b>Sent:</b> Wednesday, October 4, 2017 11:38 AM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] mixer error with gfortran</font>
<div> </div>
</div>
<div>
<div dir="auto">Normally this means that one of the other
programs (lapwso, lapw2 etc) crashed. Please check the
*.error files & *.dayfile<br>
<br>
<div>---<br>
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<div class="gmail_extra"><br>
<div class="gmail_quote">On Oct 4, 2017 06:36, "Md.
Fhokrul Islam" <<a href="mailto:fislam@hotmail.com"
moz-do-not-send="true">fislam@hotmail.com</a>>
wrote:<br type="attribution">
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex; border-left:1px #ccc solid; padding-left:1ex">
<div dir="ltr">
<div id="m_5383240467835612983divtagdefaultwrapper"
dir="ltr" style="font-size:12pt; color:#000000;
font-family:Calibri,Helvetica,sans-serif">
<p>Hi Wien2k users,</p>
<p><br>
</p>
<p>I am trying to do TiC calculation as mentioned
in the userguide with Wien2k compiled
with gfortran.</p>
<p>It works fine without spin-orbit (SO) coupling
but if I add SO it crashes in the 1st cycle with
'mixer error'.</p>
<p><br>
</p>
<p><span>error: command
/bionano2/Wien2k14.2/mixer mixer.def failed</span> </p>
<p><br>
</p>
<p>There is no other error message or error file. <span
style="font-size:12pt">However, if I do the
same TiC calculation in another </span></p>
<p><span style="font-size:12pt">machine with an
intel compiled Wien2k, this problem </span><span
style="font-size:12pt">does not arise. S</span><span
style="font-size:12pt">o I am not sure </span><span
style="font-size:12pt">why there </span></p>
<p><span style="font-size:12pt">is a mixer error
with gfortran for TiC when I do spin-orbit
calculation. </span></p>
<p><span style="font-size:12pt"><br>
</span></p>
<p><span style="font-size:12pt"></span></p>
<p
style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple
Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI
Symbol","Android
Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:12pt">I tried another
test </span><span style="font-size:12pt">calculation
with </span><span style="font-size:12pt">GaAs
but this one </span><span
style="font-size:12pt">works fine with
gfortran. </span></p>
<p
style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple
Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI
Symbol","Android
Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:12pt"><br>
</span></p>
<p
style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple
Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI
Symbol","Android
Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:12pt">Any suggestion will
be appreciated.</span></p>
<p
style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple
Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI
Symbol","Android
Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:12pt"><br>
</span></p>
<p
style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple
Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI
Symbol","Android
Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:12pt"><br>
</span></p>
<p
style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple
Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI
Symbol","Android
Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:12pt">Thanks,</span></p>
<p
style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple
Color Emoji","Segoe UI
Emoji",NotoColorEmoji,"Segoe UI
Symbol","Android
Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:12pt">Fhokrul</span></p>
</div>
</div>
</blockquote>
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