<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=Windows-1252">
</head>
<body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; color: rgb(0, 0, 0); font-size: 14px; font-family: Calibri, sans-serif;">
<div>
<div>I don’t have the impression that we need to specify FFTW3 for serial installation of wien2k. </div>
<div>For the MPI parallel installation, you can specify the path of FFTW3 built from the MKL interface. </div>
<div><br>
</div>
<div>Thanks,</div>
</div>
<div><br>
</div>
<div>J</div>
<div><br>
</div>
<span id="OLK_SRC_BODY_SECTION">
<div style="font-family:Calibri; font-size:11pt; text-align:left; color:black; BORDER-BOTTOM: medium none; BORDER-LEFT: medium none; PADDING-BOTTOM: 0in; PADDING-LEFT: 0in; PADDING-RIGHT: 0in; BORDER-TOP: #b5c4df 1pt solid; BORDER-RIGHT: medium none; PADDING-TOP: 3pt">
<span style="font-weight:bold">From: </span>Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>> on behalf of Hyungjun Lee <<a href="mailto:maldacena@gmail.com">maldacena@gmail.com</a>><br>
<span style="font-weight:bold">Reply-To: </span>A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Date: </span>Wednesday, February 7, 2018 at 9:09 AM<br>
<span style="font-weight:bold">To: </span>"<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>" <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Subject: </span>[Wien] on use of FFTW3 in MKL<br>
</div>
<div><br>
</div>
<div>
<div>
<div dir="ltr">Dear developers:
<div><br>
</div>
<div>I am trying to compile Wien2k 17.1 with Intel MKL in the cray system.</div>
<div><br>
</div>
<div>I have no problem with compiling Wien2k 17.1 with numerical libraries except for fftw in mkl and the separate fftw3 in the official FFTW3.</div>
<div><br>
</div>
<div>But, I am wondering whether I can use only numerical libraries in mkl including fftw3.</div>
<div>I can't find the information on this in the user guide.</div>
<div><br>
</div>
<div>Could you let me know how to do this?</div>
<div>I just want to use only mkl without using FFTW3 package.</div>
<div><br>
</div>
<div>Sincerely,</div>
<div><br>
</div>
<div>M.</div>
</div>
</div>
</div>
</span>
</body>
</html>