Thanks for the hint about using -O0 when using ifx 2025.0.4.
I compiled WIEN2k 24.1 with it, and it built without errors. I was even
able to compile elpa with it.
I documented the steps I used should others be interested in them and
put them in a file that should be at:
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1_Ubuntu22.04_Install_with_OneAPI(ifx).pdf
The TiC example also ran fine. Screenshots of it are in another file here:
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1%20TiC%20Example(ifx).pdf
Gavin
WIEN2k user
On 10/30/2024 7:03 AM, Michael Fechtelkord via Wien wrote:
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) :
SRC_3ddens/compile.msg:make: *** [Makefile:65: 3ddens] Fehler 1
SRC_reformat/compile.msg:reformat.c:3:1: Fehler: Rückgabetyp ist auf
»int« voreingestellt [-Wimplicit-int]
SRC_reformat/compile.msg:make: *** [Makefile:40: reformat.o] Fehler 1
SRC_3ddens
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.
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
_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
-I/usr/local/include -qopenmp -L/opt/intel/oneapi/mkl/2025.0/lib/
-lpthread -lm -ldl -liomp5
/usr/lib64/gcc/x86_64-suse-linux/14/../../../../x86_64-suse-linux/bin/ld:
3ddens.o: in function `dfftw_init_threads_.t1225p':
ifx24sU4Q.i:(.text+0xf797): undefined reference to `dfftw_init_threads_'
/usr/lib64/gcc/x86_64-suse-linux/14/../../../../x86_64-suse-linux/bin/ld:
3ddens.o: in function `dfftw_plan_with_nthreads_.t1230p':
ifx24sU4Q.i:(.text+0xf7b7): undefined reference to
`dfftw_plan_with_nthreads_'
make: *** [Makefile:65: 3ddens] Fehler 1
SRC_reformat
rm -f reformat.o
cc -c reformat.c
reformat.c:3:1: Fehler: Rückgabetyp ist auf »int« voreingestellt
[-Wimplicit-int]
3 | main(argc,argv)
| ^~~~
make: *** [Makefile:40: reformat.o] Fehler 1
Best regards,
Michael
--
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:[email protected]
Web
Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
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