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<pre style="font-family:courier,"courier new",monospace; font-size:14px; white-space:pre-wrap; margin:0em"><span style="font-size:11pt; font-family:Tahoma,Geneva,sans-serif">Dear </span><span style="font-size:11pt; font-family:Tahoma,Geneva,sans-serif">Lyudmila Dobysheva</span></pre>
<p style="margin-top:0; margin-bottom:0"><span style="font-size: 11pt;">Thank you for quick response. </span><br>
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<p style="margin-top:0; margin-bottom:0">Finally, the error problem has been solved. It was related to the installation of OpenBLASH and libxc. <span style="font-family:Tahoma,Geneva,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:14.6667px">Earlier,
I haven't installed the OpenBLAS and libxc.</span></p>
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<p style="margin-top:0; margin-bottom:0">As a new user of wien2k 18.2, I have just followed the installation process of <a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17982.html" class="OWAAutoLink" id="LPlnk176969" previewremoved="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17982.html</a></p>
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<p style="margin-top:0; margin-bottom:0">Now, after installing and linking the libraries of OpenBLAS and libxc, the error issue has gone away.</p>
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</p>
<p style="margin-top:0; margin-bottom:0">Thank you.</p>
<p style="margin-top:0; margin-bottom:0">Best regards,</p>
<p style="margin-top:0; margin-bottom:0">Md. Mahabub Hossain</p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> HOSSAIN Md Mahabub<br>
<b>Sent:</b> Tuesday, January 22, 2019 4:59:36 PM<br>
<b>To:</b> wien@zeus.theochem.tuwien.ac.at<br>
<b>Subject:</b> Wien2k 18.2 version_XMCD_Optic_error</font>
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<p style="margin-top:0; margin-bottom:0"><span style="font-size:11pt; font-family:Tahoma,Geneva,sans-serif; color:rgb(0,0,0)">Dear
</span><span style="font-family:courier,"courier new",monospace; font-size:14px; background-color:rgb(244,245,245)"><span style="font-size:11pt; font-family:Tahoma,Geneva,sans-serif; color:rgb(0,0,0)">Peter Blaha and </span><span style="color:rgb(0,0,0); font-family:Tahoma,Geneva,sans-serif; font-size:11pt">Gavin
Abo</span></span></p>
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<p style="margin-top:0; margin-bottom:0">I am using wien2k 18.2 version. I am trying to calculate the XMCD of Fe3O4. When I came to step to the 'x optic -up', I found an the following error: </p>
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</span></p>
<p style="margin-top:0; margin-bottom:0"><span style="font-size:11pt">emin,emax,nbvalmax -5.00000000000000 3.00000000000000 99999</span><br>
</p>
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<pre> XMCD selected for atom 2 L23
LSO= T
forrtl: severe (64): input conversion error, unit 18, file /home/mahabub/WIEN2k/Fe3O4/Fe3O4.vspup
Image PC Routine Line Source
opticc 000000000043DA5E Unknown Unknown Unknown
opticc 000000000046113D Unknown Unknown Unknown
opticc 00000000004037B9 atpar_ 62 atpar_op.f
opticc 000000000042F054 cor_mat_ 340 sph-UPcor_tmp.f
opticc 0000000000412F53 MAIN__ 476 opmain.f
opticc 0000000000402C9E Unknown Unknown Unknown
libc-2.27.so 0000151708BACB97 __libc_start_main Unknown Unknown
opticc 0000000000402BA9 Unknown Unknown Unknown
0.006u 0.003s 0:00.01 0.0% 0+0k 0+72io 0pf+0w
error: command /home/mahabub/wien2k/opticc upoptic.def failed
</pre>
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I tried to fix the problem by following</div>
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<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17555.html" class="x_OWAAutoLink" id="LPlnk984666" previewremoved="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17555.html</a></div>
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but I didn't find any patch file for wien2k 18.2 version. </div>
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<div id="x_divtagdefaultwrapper" dir="ltr" style=""><span style="font-size:11pt">However, I rerun again from </span><font face="courier, courier new, monospace"><span style="font-size:14px; white-space:pre-wrap">./siteconfig for wien2k 18.2 according to above
link,and found many </span></font><span style="font-family:courier,"courier new",monospace; font-size:14px; white-space:pre-wrap">Compile time errors in
</span></div>
<div id="x_divtagdefaultwrapper" dir="ltr" style=""><span style="font-family:courier,"courier new",monospace; font-size:14px; white-space:pre-wrap"></span><span style="font-family:courier,"courier new",monospace; font-size:14px; white-space:pre-wrap">Compile
time errors (if any) were:.</span><font face="courier, courier new, monospace"><span style="font-size:14px; white-space:pre-wrap">
<pre style="font-family:courier,"courier new",monospace; font-size:14px; white-space:pre-wrap; margin:0em"></pre>
</span></font></div>
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</span></font></div>
<div id="x_divtagdefaultwrapper" dir="ltr" style="color:rgb(0,0,0)">Please help me how to solve the error issue.</div>
<div id="x_divtagdefaultwrapper" dir="ltr" style="color:rgb(0,0,0)"><br>
</div>
<div id="x_divtagdefaultwrapper" dir="ltr" style="color:rgb(0,0,0)">Looking forward for your response.</div>
<div id="x_divtagdefaultwrapper" dir="ltr" style="color:rgb(0,0,0)">Sincerely,</div>
<div id="x_divtagdefaultwrapper" dir="ltr" style="color:rgb(0,0,0)">Md Mahabub Hossain</div>
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