<div dir="rtl"><div dir="ltr">Hi</div><div dir="ltr">I got error when I tried to open that file</div><div dir="ltr">Victor</div></div><br><div class="gmail_quote gmail_quote_container"><div dir="rtl" class="gmail_attr">בתאריך שבת, 21 בדצמ׳ 2024 ב-19:02 מאת Gavin Abo <<a href="mailto:gabo13279@gmail.com">gabo13279@gmail.com</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"><u></u>
<div>
<p>Thanks for the hint about using -O0 when using ifx 2025.0.4.</p>
<p>I compiled WIEN2k 24.1 with it, and it built without errors. I
was even able to compile elpa with it.</p>
<p>I documented the steps I used should others be interested in them
and put them in a file that should be at:<br>
</p>
<p><a href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1_Ubuntu22.04_Install_with_OneAPI(ifx).pdf" target="_blank">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1_Ubuntu22.04_Install_with_OneAPI(ifx).pdf</a></p>
<p>The TiC example also ran fine. Screenshots of it are in another
file here:<br>
</p>
<p><a href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1%20TiC%20Example(ifx).pdf" target="_blank">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1%20TiC%20Example(ifx).pdf</a></p>
Gavin<br>
WIEN2k user
<p></p>
<div>On 10/30/2024 7:03 AM, Michael
Fechtelkord via Wien wrote:<br>
</div>
<blockquote type="cite">
<p>I just compiled the WIEN2k code with ifx (2025.0.0) again,
regarding Peter's recommendations .. and only a few errors
remain now (all compiled without optimisation using -O0 flag) :<br>
</p>
<p><br>
</p>
<p>SRC_3ddens/compile.msg:make: *** [Makefile:65: 3ddens] Fehler 1<br>
SRC_reformat/compile.msg:reformat.c:3:1: Fehler: Rückgabetyp ist
auf »int« voreingestellt [-Wimplicit-int]<br>
SRC_reformat/compile.msg:make: *** [Makefile:40: reformat.o]
Fehler 1<br>
<br>
SRC_3ddens<br>
ifx -o ./3ddens modules.o fft_modules.o 3ddens.o setfft2.o
stern.o rotdef.o rotato.o rotat.o charge.o
calculate_neighbours.o ylm.o radial.o sum.o interp.<br>
o gener.o vnorm.o latgen.o rotate.o reduc.o write_xsf.o
write_stm.o primitive_cell.o read_struct.o atom_sphere_dens.o
-L/usr/local/lib64 -lfftw3 -lfftw3<br>
_omp -O0 -xAVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
-traceback -assume buffered_io
-I/opt/intel/oneapi/mkl/2025.0/include -DFFTW3 -DFFTW_OMP<br>
-I/usr/local/include -qopenmp
-L/opt/intel/oneapi/mkl/2025.0/lib/ -lpthread -lm -ldl -liomp5<br>
/usr/lib64/gcc/x86_64-suse-linux/14/../../../../x86_64-suse-linux/bin/ld:
3ddens.o: in function `dfftw_init_threads_.t1225p':<br>
ifx24sU4Q.i:(.text+0xf797): undefined reference to
`dfftw_init_threads_'<br>
/usr/lib64/gcc/x86_64-suse-linux/14/../../../../x86_64-suse-linux/bin/ld:
3ddens.o: in function `dfftw_plan_with_nthreads_.t1230p':<br>
ifx24sU4Q.i:(.text+0xf7b7): undefined reference to
`dfftw_plan_with_nthreads_'<br>
make: *** [Makefile:65: 3ddens] Fehler 1<br>
<br>
SRC_reformat<br>
rm -f reformat.o <br>
cc -c reformat.c<br>
reformat.c:3:1: Fehler: Rückgabetyp ist auf »int« voreingestellt
[-Wimplicit-int]<br>
3 | main(argc,argv)<br>
| ^~~~<br>
make: *** [Makefile:40: reformat.o] Fehler 1</p>
<p><br>
</p>
<p>Best regards,</p>
<p><span style="white-space:pre-wrap">Michael</span></p>
<p><span style="white-space:pre-wrap">
</span></p>
<pre cols="72">--
Dr. Michael Fechtelkord
Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum
Phone: +49 (234) 32-24380
Fax: +49 (234) 32-04380
Email: <a href="mailto:Michael.Fechtelkord@ruhr-uni-bochum.de" target="_blank">Michael.Fechtelkord@ruhr-uni-bochum.de</a>
Web Page: <a href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/" target="_blank">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a>
</pre>
</blockquote>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">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">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote></div>