[Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories

[Gavin Abo]

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:Michael.Fechtelkord at ruhr-uni-bochum.de
> Web Page:https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/
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