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<p>Hi,</p>
<p>As I said before: It seems you copied whole lines from Gavins
document when configuring siteconfig.</p>
<p>This document contains the full output shown on a screen, but you
must copy only the "input", not the comments or description (the
full line).<br>
</p>
<p>Example: You show a line like:</p>
<p><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><br>
</p>
<p>but it should look like (I had no libxc in this gfortran
installation):<br>
</p>
<p>make ./lapw0 FORT=gfortran FFLAGS=' -ffree-form -O2
-ftree-vectorize -march=native -ffree-line-length-none
-ffpe-summary=none -DFFTW3 -I/usr/include -fopenmp'<br>
</p>
<p>So the "<tt class="gmail-western"
style="font-family:"Liberation Mono",monospace">Compiler
options=" should of course not be there (It was in Gavis file
as this is printed by siteconfig on the screen, but obviously it
is not part of the options....</tt></p>
<p><tt class="gmail-western" style="font-family:"Liberation
Mono",monospace"><br>
</tt></p>
<p><tt class="gmail-western" style="font-family:"Liberation
Mono",monospace">I suggest you start over in a fresh
directory, use the defaults and only adjust libxc, fftw,...</tt></p>
<p><tt class="gmail-western" style="font-family:"Liberation
Mono",monospace"><br>
</tt></p>
<div class="moz-cite-prefix">Am 12.06.2023 um 12:20 schrieb Victor
Zenou:<br>
</div>
<blockquote type="cite"
cite="mid:CAOFFwJ6ZEnndztX4pS2bDZyPVBvx_2ayexBzemUSmXOPnUQCMg@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="rtl"> <span></span>
<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" moz-do-not-send="true"
class="moz-txt-link-freetext">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" moz-do-not-send="true"
class="moz-txt-link-freetext">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"
moz-do-not-send="true" class="moz-txt-link-freetext">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"
moz-do-not-send="true" class="moz-txt-link-freetext">peter.blaha@tuwien.ac.at</a><br>
WWW: <a href="http://www.imc.tuwien.ac" rel="noreferrer"
target="_blank" moz-do-not-send="true"
class="moz-txt-link-freetext">http://www.imc.tuwien.ac</a>
WIEN2k: <a href="http://www.wien2k.at"
rel="noreferrer" target="_blank" moz-do-not-send="true"
class="moz-txt-link-freetext">http://www.wien2k.at</a><br>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at"
target="_blank" moz-do-not-send="true"
class="moz-txt-link-freetext">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien"
rel="noreferrer" target="_blank" moz-do-not-send="true"
class="moz-txt-link-freetext">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a
href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html"
rel="noreferrer" target="_blank" moz-do-not-send="true"
class="moz-txt-link-freetext">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote>
</div>
</blockquote>
</div>
<br>
<fieldset class="moz-mime-attachment-header"></fieldset>
<pre class="moz-quote-pre" wrap="">_______________________________________________
Wien mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a>
<a class="moz-txt-link-freetext" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a>
SEARCH the MAILING-LIST at: <a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a>
</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated" href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>
WWW: <a class="moz-txt-link-freetext" href="http://www.imc.tuwien.ac.at">http://www.imc.tuwien.ac.at</a> WIEN2k: <a class="moz-txt-link-freetext" href="http://www.wien2k.at">http://www.wien2k.at</a>
-------------------------------------------------------------------------</pre>
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