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<p style="line-height:100%;margin-bottom:0cm;background:transparent">
Compile linking errors_12062023</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent">Sorry for my
mistake. Here it is again.</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent">I installed
Wien2k_23.2 <tt class="gmail-western" style="font-family:"Liberation Mono",monospace">using gfortran </tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">on</tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">
Ubuntu 22.04.2 LTS, </tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">using gavin’s "</tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3"><b>WIEN2k
23.2 Install with gfortran"</b></font></font></tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font style="font-size:12pt" size="3"><b>.</b></font></tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">When
I checked </tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">
file compile.msg in the corresponding SRC_* directory </font></font></tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">,
I saw that few of them had linking errors. For instance: </tt>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">SRC_lapw0</tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">:</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">rm
-f *.o *_tmp_.* *.P .sequential .parallel *.mod</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">if
[ -f .parallel ]; then \</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">
</tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">rm -f .parallel modules.o libxc_mod.o
W2kinit.o fft_modules.o reallocate.o energy.o finl_elect_str.o
getff1.o getfft.o gtfnam.o lapw0.o outerr.o rean_direct_fft.o rean0.o
rean3.o rean4.o setff1.o setff2.o setfft.o stress_gga.o xcpot1.o
xcpot1Q.o xcpot3.o eramps.o inputpars.o *.mod; \</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">fi</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">touch
.sequential</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">make
./lapw0 FORT=gfortran FFLAGS=' Compiler options=-ffree-form -O2
-ftree-vectorize -march=native -ffree-line-length-none
-ffpe-summary=none -fallow-argument-mismatch -DLIBXC
-I/home/victor/libxc-6.1.0/include -DFFTW3
-I/home/victor/fftw-3.3.10/include -fopenmp'</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">make[1]:
Entering directory '/home/victor/WIEN2k23.1/SRC_lapw0'</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran
Compiler options=-ffree-form -O2 -ftree-vectorize -march=native
-ffree-line-length-none -ffpe-summary=none -fallow-argument-mismatch
-DLIBXC -I/home/victor/libxc-6.1.0/include -DFFTW3
-I/home/victor/fftw-3.3.10/include -fopenmp -c cputim.f</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
warning: Compiler: linker input file unused because linking not done</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
error: Compiler: linker input file not found: No such file or
directory</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
warning: options=-ffree-form: linker input file unused because
linking not done</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
error: options=-ffree-form: linker input file not found: No such file
or directory</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">make[1]:
*** [Makefile:174: cputim.o] Error 1</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">make[1]:
Leaving directory '/home/victor/WIEN2k23.1/SRC_lapw0'</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">make:
*** [Makefile:125: seq] Error 2</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">make:
*** No rule to make target 'complex'. Stop.</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">
</tt>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">SRC_n</tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">n:</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">rm
-f struk.o variable_fields.o nn.o dirlat.o ord2.o reduce_alloc.o
bvan.o angles.o convert_to_cart.o struk.P variable_fields.P nn.P
dirlat.P ord2.P reduce_alloc.P bvan.P angles.P convert_to_cart.P
nn.prj dirlat.prj ord2.prj reduce_alloc.prj bvan.prj angles.prj
convert_to_cart.prj struk.prj variable_fields.prj \</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"> nn.xref
*.mod</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran
Compiler options=-ffree-form -O2 -ftree-vectorize -march=native
-ffree-line-length-none -ffpe-summary=none -fallow-argument-mismatch
-c struk.f</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
warning: Compiler: linker input file unused because linking not done</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
error: Compiler: linker input file not found: No such file or
directory</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
warning: options=-ffree-form: linker input file unused because
linking not done</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">gfortran:
error: options=-ffree-form: linker input file not found: No such file
or directory</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">make:
*** [Makefile:108: struk.o] Error 1</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace">WIEN2k
was installed in /root/WIEN2k23.1/<br>
compiler: </tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">gfortran</font></font></tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><br>
c
compiler: gcc</tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">Parallel
compiler, </font></font></tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">fortran
and c</font></font></tt><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">
: mpifort, mpicc </font></font></tt>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">Best
Regards,</font></font></tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">Victor
Zenou</font></font></tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><tt class="gmail-western" style="font-family:"Liberation Mono",monospace"><font face="Times New Roman, serif"><font style="font-size:12pt" size="3">Wien2k
user</font></font></tt></p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
<p style="line-height:100%;margin-bottom:0cm;background:transparent"><br>
</p>
</div><br><div class="gmail_quote"><div dir="rtl" class="gmail_attr">בתאריך יום ב׳, 12 ביוני 2023 ב-12:09 מאת Victor Zenou <<a href="mailto:zanov@post.bgu.ac.il">zanov@post.bgu.ac.il</a>>:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="rtl"><div>WIEN2k 23.2 Install with gfortran:</div><div><br></div><div><a href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf" target="_blank">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf</a></div></div><br><div class="gmail_quote"><div dir="rtl" class="gmail_attr">בתאריך יום ב׳, 12 ביוני 2023 ב-12:03 מאת Peter Blaha <<a href="mailto:peter.blaha@tuwien.ac.at" target="_blank">peter.blaha@tuwien.ac.at</a>>:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">You must have made a stupid copy/paste error ??<br>
Or you mixed comments with actual input options.<br>
<br>
As I said before, siteconfig should work "out of the box" when all <br>
prerequisites are met, with the default options except the <br>
fftw-specific places (and maybe the openblas place).<br>
<br>
What should that be:<br>
<br>
gfortran Compiler options=-ffree-form -O2 -ftree-vectorize -march=native <br>
-ffree-line-length-none -ffpe-summary=none -fallow-argument-mismatch <br>
-DLIBXC -I/home/victor/libxc-6.1.0/include -DFFTW3 -I/homeWIEN2k 23.2 <br>
Install with gfortran/victor/fftw-3.3.10/include -fopenmp -c cputim.f<br>
<br>
where does this: "/homeWIEN2k 23.2 Install with gfortran" come from ?<br>
<br>
<br>
Am 6/12/23 um 10:51 schrieb Victor Zenou:<br>
> gfortran Compiler options=-ffree-form -O2 -ftree-vectorize -march=native <br>
> -ffree-line-length-none -ffpe-summary=none -fallow-argument-mismatch <br>
> -DLIBXC -I/home/victor/libxc-6.1.0/include -DFFTW3 -I/home*WIEN2k 23.2 <br>
> Install with gfortran*/victor/fftw-3.3.10/include -fopenmp -c cputim.f<br>
> <br>
<br>
-- <br>
Peter Blaha, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300 Email: <a href="mailto:peter.blaha@tuwien.ac.at" target="_blank">peter.blaha@tuwien.ac.at</a><br>
WWW: <a href="http://www.imc.tuwien.ac" rel="noreferrer" target="_blank">http://www.imc.tuwien.ac</a> WIEN2k: <a href="http://www.wien2k.at" rel="noreferrer" target="_blank">http://www.wien2k.at</a><br>
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</blockquote></div>
</blockquote></div>