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<p>You likely need to use -lblas for libblas.so and -llapack for
liblapack.so installed with "sudo yum install lapack-devel".</p>
<p>A basic WIEN2k serial install with gfortran/cc on Fedora seems
quite similar to Ubuntu [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17911.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17911.html</a>
,
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html</a>
] but Fedora uses yum packages:</p>
<p><font color="#999999">Using 64-bit 1.7GB Live image
(Fedora-Workstation-Live-x86_64-28-1.1.iso) from<br>
<br>
<a class="moz-txt-link-freetext" href="https://getfedora.org/en/workstation/download/">https://getfedora.org/en/workstation/download/</a></font><br>
</p>
<p><font color="#999999">[liveuser@localhost ~]$</font> cat
/etc/fedora-release <br>
<font color="#999999">Fedora release 28 (Twenty Eight)</font><br>
<font color="#999999">[liveuser@localhost ~]$</font> sudo yum
install tcsh<br>
<font color="#999999">...</font><br>
<font color="#999999">Is this ok [y/N]:</font> y<br>
<font color="#999999">...</font><br>
<font color="#999999">[liveuser@localhost ~]$ </font>sudo yum
install gcc-gfortran<br>
<font color="#999999">...</font><br>
<font color="#999999">Is this ok [y/N]: </font>y<br>
<font color="#999999">...</font><br>
<font color="#999999">[liveuser@localhost-live ~]$</font> sudo yum
install lapack-devel<br>
<font color="#999999">...</font><br>
<font color="#999999">Is this ok [y/N]:</font> y<br>
<font color="#999999">...</font><br>
<font color="#999999">[liveuser@localhost-live ~]$</font> ls
/usr/lib64/liblapack*<br>
<font color="#999999">/usr/lib64/liblapacke.so <font
color="#009900">/usr/lib64/liblapack.so</font><br>
/usr/lib64/liblapacke.so.3 /usr/lib64/liblapack.so.3<br>
/usr/lib64/liblapacke.so.3.8 /usr/lib64/liblapack.so.3.8<br>
/usr/lib64/liblapacke.so.3.8.0 /usr/lib64/liblapack.so.3.8.0</font><br>
<font color="#999999">[liveuser@localhost-live ~]$</font> ls
/usr/lib64/libblas*<br>
<font color="#999999"><font color="#009900">/usr/lib64/libblas.so</font>
/usr/lib64/libblas.so.3.8<br>
/usr/lib64/libblas.so.3 /usr/lib64/libblas.so.3.8.0</font><br>
<font color="#999999">[liveuser@localhost WIEN2k]$</font> ls<br>
<font color="#999999">WIEN2k_18.2.tar</font><br>
<font color="#999999">[liveuser@localhost WIEN2k]$ </font>tar xvf
WIEN2k_18.2.tar <br>
<font color="#999999">...</font><br>
<font color="#999999">[liveuser@localhost WIEN2k]$</font> gunzip
*.gz<br>
<font color="#999999">...<br>
[liveuser@localhost WIEN2k]$</font> ./expand_lapw <br>
<font color="#999999">...<br>
continue (y/n) </font><br>
y<br>
<font color="#999999">...<br>
[liveuser@localhost-live WIEN2k]$</font> rm WIEN2k_INSTALLDATE<br>
<font color="#999999">[liveuser@localhost WIEN2k]$</font>
./siteconfig<br>
<font color="#999999">...</font><br>
<font color="#999999">continue or stop (c/s) </font>c<br>
<font color="#999999">...</font><br>
<font color="#999999"> Selection:</font> LG<br>
<font color="#999999">...</font><br>
<font color="#999999"> Your compiler: </font>gfortran<br>
<font color="#999999">...</font><br>
<font color="#999999"> Your compiler: </font>cc<br>
<font color="#999999">...</font><br>
<font color="#999999"> Would you like to use LIBXC (that you have
installed)? (y,N): </font><br>
N<br>
<font color="#999999">...<br>
Selection:</font> R<br>
<font color="#999999"> Real libraries=</font>-lblas -llapack
-lpthread<br>
<font color="#999999">...<br>
Current settings:<br>
O Compiler options: -ffree-form -O2
-ffree-line-length-none<br>
L Linker Flags: $(FOPT) -L../SRC_lib<br>
P Preprocessor flags '-DParallel'<br>
R R_LIBS (LAPACK+BLAS): -lblas -llapack -lpthread<br>
X LIBX options:<br>
LIBXC-LIBS:<br>
<br>
S Save and Quit<br>
<br>
To change an item select option.<br>
Selection:</font> S<br>
<font color="#999999">...<br>
Shared Memory Architecture? (y/N):</font>y<br>
<font color="#999999"> Do you know/need a command to bind your
jobs to specific nodes?<br>
(like taskset -c). Enter N / your_specific_command: </font>N<br>
<font color="#999999">...<br>
(y/N)</font> N<br>
<font color="#999999">...<br>
Selection:</font> Q<br>
<font color="#999999">...<br>
Selection:</font> A<br>
<font color="#999999">...<br>
Compile time errors (if any) were:<br>
<br>
<br>
Check file compile.msg in the corresponding SRC_* directory
for the <br>
compilation log and more info on any compilation problem.<br>
...<br>
Please enter the full path of the perl program:</font>
/usr/bin/perl<br>
<font color="#999999">...<br>
Please enter the full path to your temporary directory:</font>
/tmp<br>
<font color="#999999">...<br>
[liveuser@localhost-live WIEN2k]$</font> ./userconfig<br>
<font color="#999999">...</font></p>
<p>Note: The above does not include other packages that might be
needed for run-time (such as: sudo yum gnuplot octave grace) or
post-processing programs [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17895.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17895.html</a>
, <a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/unsupported/">http://susi.theochem.tuwien.ac.at/reg_user/unsupported/</a> ].</p>
<div class="moz-cite-prefix">On 10/21/2018 1:08 PM, Ashwani Kumar
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAGKDLM5hgtxV4RLX4HdBw5qtpJd9rUOr1RbW-K6soqWNV_G33w@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div dir="ltr">
<div dir="ltr">
<div>Dear Mam/Sir,<br>
I am trying to install wien2k in fedora (system config. :
64 bit, i7-8700 processor-6 cores, 8 gb ram). Almost every
program have this error (shown in BOLD), below is
compile.msg from Pairhess program::<br>
_______________________________________________________________<br>
gfortran -o pairhess energy.o findneigh.o findsymm.o
fixup.o gen_brav.o init.o main.o sortag.o dchdc.o
errclr.o errflg.o gtfnam.o outerr.o expandset.o
makehessb.o findequivs.o matcon.o rigidb2.o atomic_mass.o
-ffree-form -O2 -ffree-line-length-none -L../SRC_lib
/opt/libopenblas /opt/liblapack -lpthread<br>
<b>gfortran: error: /opt/libopenblas: No such file or
directory<br>
gfortran: error: /opt/liblapack: No such file or
directory</b><br>
make: *** [Makefile:61: pairhess] Error 1<br>
__________________________________________________________________________<br>
</div>
<div>So every program is non-executable. <br>
</div>
<div><br>
</div>
<div>Thinking of missing link between gfortran /gcc ,
executed test command :
<br>
</div>
<div>[hardy@localhost WIEN2K]$ gfortran testblas.c
/path/to/OpenBLAS/libopenblas.lib -o test<br>
<b>gfortran: error: testblas.c: No such file or directory<br>
gfortran: error: /path/to/OpenBLAS/libopenblas.lib: No
such file or directory<br>
</b> <br>
</div>
<div>Please help.<br>
<br>
</div>
<div>I am very thankful to Dr. Blaha for his kind support
related to WIEN2K program (his positive reply on
19/10/2018 made my task easy). <br>
<br>
</div>
<div>thanks,<br>
</div>
<div>Ashwani Kumar<br>
</div>
</div>
</div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CAGKDLM5hgtxV4RLX4HdBw5qtpJd9rUOr1RbW-K6soqWNV_G33w@mail.gmail.com"></blockquote>
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