<div dir="ltr"><div>Thank you for your response. I'm running TiC test and after 2 SCF cycles I get an error in lapw1</div><div> Cholesky INFO = 183<br> 'SECLR4' - POTRF (Scalapack/LAPACK) failed.</div><div>I have searched through previous mailing list but I didn't quite get the solution of this problem. There was no warnings during initialization also so structure file seem fine. Is there any parameter I have to change to solve this?</div><div><br></div><div>Kind regards,</div><div>Riyajul Islam<br> </div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, 3 Jul 2019 at 19:09, Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div bgcolor="#FFFFFF">
<p>The problem might be with the FFTW-LIBS. In the steps at [1], it
looks like it set to "lib", but it is set to "lib64" in your case.</p>
<p>Check if libfftw3_mpi.a exists in lib or lib64.</p>
<p>For example, if the file exists in lib:<br>
</p>
<p>username@computername:~$ ls /home/username/fftw3/lib<br>
cmake libfftw3.a <a href="http://libfftw3.la" target="_blank">libfftw3.la</a> libfftw3_mpi.a <a href="http://libfftw3_mpi.la" target="_blank">libfftw3_mpi.la</a>
pkgconfig</p>
<p>Then, adjust your settings accordingly:<br>
</p>
<p>username@computername:~$ cd $WIENROOT<br>
username@computername:~/WIEN2k$ ./siteconfig<br>
...<br>
Selection: O<br>
...<br>
F FFTW options: -DFFTW3
-I/home/username/fftw3/include<br>
FFTW-LIBS: -L/home/username/fftw3/lib64
-lfftw3<br>
FFTW-PLIBS: NOT FOUND!<br>
...<br>
Selection: F<br>
...<br>
Selection:L<br>
Enter the target achitecture of your FFTW library (e.g. lib64)!:
lib<br>
...<br>
FFTW_OPT: -DFFTW3 -I/home/username/fftw3/include<br>
FFTW_LIBS: -L/home/username/fftw3/lib -lfftw3<br>
FFTW-PLIBS: -lfftw3_mpi<br>
...<br>
</p>
<p>[1] <a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html</a></p>
<div class="gmail-m_6729530394050456200moz-cite-prefix">On 7/3/2019 3:27 AM, Riyajul Islam
wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">
<div>Hellow wien2k users,<br>
</div>
<div>I am facing a problem in compiling FFTW in
sitecofiguration. I have followed all the steps as in "<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html</a>".
But could nopt acces the
"/home/username/fftw3/mpi/.libs/libfftw3_mpi.a" as in in
mailing list.</div>
<div>the current settings for FFTW is <br>
</div>
<div>F FFTW options: -DFFTW3
-I/home/edison1/fftw3/include<br>
FFTW-LIBS: -L/home/edison1/fftw3/lib64
-lfftw3<br>
FFTW-PLIBS: NOT FOUND!</div>
<div><br>
</div>
<div>How can I solve this issue?</div>
<div><br>
</div>
<div>Regards,<br>
</div>
<div dir="ltr" class="gmail-m_6729530394050456200gmail_signature">
<div dir="ltr"><font color="#444444">Riyajul Islam</font></div>
</div>
</div>
</blockquote>
<br>
<blockquote type="cite"></blockquote>
</div>
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</blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><font color="#444444">Riyajul Islam</font><div><font color="#444444">Research Scholar</font></div><div><font color="#444444">National Institute of Technology Nagaland<br></font></div><div><div><font face="arial, helvetica, sans-serif" color="#444444">Chumukedima, Dimapur</font></div><div><font face="arial, helvetica, sans-serif" color="#444444">Nagaland 797103, India</font></div></div><div><br></div></div></div>