<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
</head>
<body>
<p>I looked into this further, and below is my Ubuntu bash terminal
output.</p>
<p><br>
</p>
<p>By removing mpicc from my environment, I was able to reproduce
your reported error:<br>
</p>
<p><br>
</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> which mpicc</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> grep openmpi ~/.bashrc<br>
</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> ./configure FCC=gfortran
CC=gcc MPICC=mpicc --enable-mpi --prefix=$HOME/fftw-3.3.10<br>
...<br>
checking for mpicc... mpicc<br>
checking for <font color="#0000ff">MPI_Init</font>... <font
color="#0000ff">no</font><br>
checking for MPI_Init in -lmpi... no<br>
checking for MPI_Init in -lmpich... no<br>
configure: error: could not find mpi library for --enable-mpi<br>
</p>
<p><br>
</p>
<p>To resolve it, I checked that <font color="#008000">mpicc</font>
was generated by "make all install" for Open MPI (in step 3 of
[1]) in the bin directory:<br>
</p>
<p><br>
</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> ls ~/openmpi-4.1.4/bin/<br>
aggregate_profile.pl mpiCC mpif77 mpirun ompi-server
orte-clean orterun<br>
mpic++ mpicxx mpif90 ompi-clean opal_wrapper
orted orte-server<br>
<font color="#008000">mpicc</font> mpiexec
mpifort ompi_info ortecc orte-info profile2mat.pl<br>
</p>
<p><br>
</p>
<p>Then, I added to my environment [2] mpicc:<br>
</p>
<p><br>
</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> gedit ~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> source ~/.bashrc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> which mpicc<br>
/home/username/openmpi-4.1.4/bin/mpicc<br>
<a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> grep openmpi ~/.bashrc<br>
export PATH=$PATH:/home/username/openmpi-4.1.4/bin<br>
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/username/OpenBLAS:/home/username/openmpi-4.1.4/lib</p>
<p><br>
</p>
<p>Next, I ran mpicc to see what version it has:<br>
</p>
<p><br>
</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> mpicc --version<br>
gcc (Ubuntu 11.2.0-19ubuntu1) 11.2.0<br>
Copyright (C) 2021 Free Software Foundation, Inc.<br>
This is free software; see the source for copying conditions.
There is NO<br>
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR
PURPOSE.</p>
<p><br>
</p>
<p>Finally, when running configure, the error had gone away and the
MPI_Init with "no" above can be seen to have changed to "yes"
below:<br>
</p>
<p><br>
</p>
<p><a class="moz-txt-link-abbreviated" href="mailto:username@computername:~/fftw-3.3.10$">username@computername:~/fftw-3.3.10$</a> ./configure FCC=gfortran
CC=gcc MPICC=mpicc --enable-mpi --prefix=$HOME/fftw-3.3.10<br>
...<br>
checking for mpicc... mpicc<br>
checking for <font color="#0000ff">MPI_Init</font>... <font
color="#0000ff">yes</font><br>
checking for mpi.h... yes<br>
checking for mpirun... mpirun<br>
...<br>
</p>
<p><br>
</p>
<p>Your .bashrc does look correct. After saving the changes to
.bashrc, maybe you didn't reload the new .bashrc settings for
example by running "source ~/.bashrc" (Or alternatively:
closing/opening a new terminal, logging in/out, or by restarting
the computer).<br>
</p>
<p><br>
</p>
<p>[1]
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k21.1_Ubuntu22.04_Install_with_gfortran.pdf">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k21.1_Ubuntu22.04_Install_with_gfortran.pdf</a><br>
</p>
<p>[2] <a class="moz-txt-link-freetext" href="https://help.ubuntu.com/community/EnvironmentVariables">https://help.ubuntu.com/community/EnvironmentVariables</a></p>
<p><br>
</p>
<p>Kind Regards,</p>
<p>Gavin</p>
<p>WIEN2k user<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/5/2022 9:36 AM, Gavin Abo wrote:<br>
</div>
<blockquote type="cite"
cite="mid:87d0e6a5-4d01-a3da-764c-0ee93555d22d@gmail.com">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<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">
<meta http-equiv="Content-Type" content="text/html;
charset=UTF-8">
<style type="text/css" style="display:none;">P {margin-top:0;margin-bottom:0;}</style>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Dear all,</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
I am following below pdf to install wien2k</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<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>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
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 $WIENROOT/WIEN2k_VERSION):
21.1 (Release 14/4/2021</span>)]</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
I have edited bashrc as follow for Openblas and openmpi</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
XCRYSDEN_TOPDIR=/usr/share/xcrysden
<div>XCRYSDEN_LIB_BINDIR=/usr/lib/xcrysden</div>
<div>export XCRYSDEN_TOPDIR</div>
<div>export XCRYSDEN_LIB_BINDIR</div>
<div>export
LD_LIBRARY_PATH=$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>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<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>
<div style="font-family: Calibri, Helvetica, sans-serif;
font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</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: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>
<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"><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">I am getting error</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"><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">configure: error: could not find mpi library for
--enable-mpi<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"> </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"><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>
</blockquote>
</blockquote>
</body>
</html>