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<p>In WIEN2k 18.2, I have in siteconfig:</p>
<p> Libraries:<br>
<br>
F FFTW options: <font color="#006600">-DFFTW3</font>
<font color="#ff0000">-I/home/username/fftw3/include</font><br>
FFTW-LIBS: -L/home/username/fftw3/lib
-lfftw3<br>
FFTW-PLIBS: -lfftw3_mpi<br>
</p>
In my SRC_lapw0/compile.msg, I see:<br>
<br>
<font color="#006600">-DFFTW3</font> <font color="#ff0000">-I/home/username/fftw3/include</font><br>
<br>
In the /home/username/fftw3/include directory my system, I have the
file fftw3.f03.<br>
<br>
In your SRC_lapw0/compile.msg, I see:<br>
<br>
-I/BIGDATA1/app/intelcompiler/14.0.2/composer_xe_2013_sp1.2.144/mkl/include
<font color="#006600">-DFFTW3</font> <font color="#ff0000">-I/usr/lib64/include</font><br>
<br>
Maybe the /usr/lib64/include directory does not have file
fftw3.f03. For serial complication, it should be possible to use
the operating system fftw3 library installed with package manager.
However, I don't think it provided the fftw3 mpi library file
(libfftw_mpi.a) such that parallel compilation would not work with
it. The fftw3 library can be download [
<a class="moz-txt-link-freetext" href="http://www.fftw.org/download.html">http://www.fftw.org/download.html</a> ] and installed [Refer to "Install
the library fftw3" at
<a class="moz-txt-link-freetext" href="http://wien2k-algerien1970.blogspot.com/2016/08/how-to-install-version-2014-of-wien2k.html">http://wien2k-algerien1970.blogspot.com/2016/08/how-to-install-version-2014-of-wien2k.html</a>
].<br>
<br>
Also, I cannot remember for sure, but their may have been some
siteconfig issues with fftw when parallel compiling in 17.1. Those
problems should however be fixed in WIEN2k 18.2.<br>
<br>
<div class="moz-cite-prefix">On 8/23/2018 1:56 AM, Lawal Mohammed
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:1432203716.2585957.1535010961960@mail.yahoo.com">
<meta http-equiv="content-type" content="text/html; charset=utf-8">
<div style="font-family:verdana, helvetica,
sans-serif;font-size:16px;">
<div style="font-family:verdana, helvetica,
sans-serif;font-size:16px;"><span>
<div>Thank you very much.</div>
<div><br>
</div>
<div>Errors in <span><span style="font-family:
"Helvetica Neue", Helvetica, Arial,
sans-serif;">SRC_lapw0/compile.msg and <span><span
style="font-family: "Helvetica Neue",
Helvetica, Arial, sans-serif;">SRC_lapw2/compile.msg </span></span>are
similar: </span></span></div>
<div>fft_modules.F(174): error #5102: Cannot open include
file 'fftw3.f03' include 'fftw3.f03'<br>
</div>
<div>.</div>
<div>.</div>
<div><span>
<div style="font-family: verdana, helvetica, sans-serif;
font-size: 16px;">I attached compile.msg file for
checking. </div>
<div><br>
</div>
</span></div>
<div>It seems similar issue was reported in the list here.</div>
<div><br>
</div>
<div>[<a
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09751.html"
rel="nofollow" target="_blank" class=""
moz-do-not-send="true">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09751.html</a>]<br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>But, it is for wien2k13.1, should I use the same
suggestion for wien2k17.1?</div>
<div>And my case is <span><span style="color: rgb(0, 0, 0);
font-family: verdana, helvetica, sans-serif;
font-size: 16px;">fftw3.f03 not <span><span
style="color: rgb(0, 0, 0); font-family: verdana,
helvetica, sans-serif; font-size: 16px;">fftw3-mpi.f03 </span></span></span></span></div>
<div><br>
</div>
<div>Thanks for your time once again.<br>
<span><span style="color: rgb(0, 0, 0); font-family:
verdana, helvetica, sans-serif; font-size: 16px;"><span>
<pre style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin: 0em; color: rgb(160, 30, 30);"><b style="font-family: verdana, helvetica, sans-serif; font-size: 16px; color: rgb(0, 0, 0);"><font size="3" face="verdana, helvetica, sans-serif"><i>
</i></font></b></pre>
<pre style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin: 0em; color: rgb(160, 30, 30);"><span style="font-family: verdana, helvetica, sans-serif; font-size: 16px; color: rgb(0, 0, 0);"><font style="" size="3" face="verdana, helvetica, sans-serif"><i style="">Kind regards</i></font></span></pre>
<pre style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin: 0em; color: rgb(160, 30, 30);"><b style="font-family: verdana, helvetica, sans-serif; font-size: 16px; color: rgb(0, 0, 0);"><font size="3" face="verdana, helvetica, sans-serif"><i>
</i></font></b></pre>
<pre style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin: 0em; color: rgb(160, 30, 30);"><b style="font-family: verdana, helvetica, sans-serif; font-size: 16px; color: rgb(0, 0, 0);"><font size="3" face="verdana, helvetica, sans-serif"><i>Lawal </i></font></b>
</pre>
</span></span></span></div>
</span></div>
</div>
</blockquote>
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