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<p>The openmpi-4.1.4 might not be installed. What does "which
mpicc" return as output?<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/5/2022 8:52 AM, AJAY SINGH VERMA
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:OSZP286MB1013DCCFB46E4F0434800093E27F9@OSZP286MB1013.JPNP286.PROD.OUTLOOK.COM">
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Dear all,</div>
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I am following below pdf to install wien2k</div>
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<br>
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<span
style="left:318.384px;top:108.5px;font-size:17.5667px;font-family:serif;transform:scaleX(0.851373)"
dir="ltr">[WIEN2k 21.1 Install with gfortran</span><br>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:394.768px;top:148.98px;font-size:17.5667px;font-family:serif;transform:scaleX(0.797569)"
dir="ltr">August 1, 2022</span><br>
<span
style="left:105.6px;top:189.46px;font-size:17.5667px;font-family:serif;transform:scaleX(0.80725)"
dir="ltr">Linux Operating System Version (lsb_release -a):
Ubuntu 22.04 LTS</span><br>
<span
style="left:105.6px;top:209.7px;font-size:17.5667px;font-family:serif;transform:scaleX(0.795676)"
dir="ltr">Fortran Compiler Version (gfortran --version):
gfortran 11.2.0</span><br>
<span
style="left:105.6px;top:229.94px;font-size:17.5667px;font-family:serif;transform:scaleX(0.831972)"
dir="ltr">WIEN2k Version (cat $WIENROOT/WIEN2k_VERSION): 21.1
(Release 14/4/2021</span>)]</div>
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<br>
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<br>
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<br>
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I have edited bashrc as follow for Openblas and openmpi</div>
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<br>
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<br>
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<br>
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XCRYSDEN_TOPDIR=/usr/share/xcrysden
<div>XCRYSDEN_LIB_BINDIR=/usr/lib/xcrysden</div>
<div>export XCRYSDEN_TOPDIR</div>
<div>export XCRYSDEN_LIB_BINDIR</div>
<div>export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/rashmi/OpenBLAS</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div>PATH=/home/rashmi/openmpi-4.1.4/bin:$PATH</div>
<div>LD_LIBRARY_PATH=/home/rashmi/OpenBLAS:/home/rashmi/openmpi-4.1.4/lib:$LD_LIBRARY_PATH</div>
<div>export PATH</div>
export LD_LIBRARY_PATH</div>
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<br>
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<br>
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<br>
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<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
While following the commands for installing fftw-3.3.10 and
giving this particular command</div>
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<br>
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<span
style="left:105.6px;top:290.66px;font-size:17.5667px;font-family:serif;transform:scaleX(0.796394)"
dir="ltr">./configure FCC=gfortran CC=gcc MPICC=mpicc --</span><span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr">enable-mpi --prefix=$HOME/fftw-3.3.10</span></div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr"><br>
</span></div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr">I am getting error</span></div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr"><br>
</span></div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr">configure: error: could not find mpi library for
--enable-mpi<br>
</span></div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr"> </span></div>
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font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr"><br>
</span></div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<span
style="left:105.6px;top:310.9px;font-size:17.5667px;font-family:serif;transform:scaleX(0.817397)"
dir="ltr">Kindly help.</span></div>
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