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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>
<p></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>
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<p></p>
<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>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <L-marks@northwestern.edu><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>
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<div dir="auto">Normally this means that one of the other programs (lapwso, lapw2 etc) crashed. Please check the *.error files & *.dayfile<br>
<br>
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Professor Laurence Marks<br>
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<div class="gmail_quote">On Oct 4, 2017 06:36, "Md. Fhokrul Islam" <<a href="mailto:fislam@hotmail.com">fislam@hotmail.com</a>> wrote:<br type="attribution">
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<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">
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</span></p>
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<span style="font-size:12pt">Any suggestion will be appreciated.</span></p>
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<span style="font-size:12pt">Thanks,</span></p>
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<span style="font-size:12pt">Fhokrul</span></p>
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