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

[Gavin Abo]

I've not run the executables to check for any run time issues. However, 
there does appear to be another workaround for using the higher compiler 
optimization (-O).  After doing a "Compile all programs" in siteconfig 
with -O and -standard-semantics but answering no to libxc and answering 
no to elpa during the compiler options setup, siteconfig gave me the 
following output showing no build errors:

...

ifx -o ./structgen module.o spacegroup.o getlattype.o getsgnum.o 
getsgname.o  getzz.o structgen.o scan_cif.o ciftbx.o hash_funcs.o 
test_sgname.o scan_in.o scan_octave.o  -O -FR -mp1 -w -prec_div -pc80 
-pad -ip -DINTEL_VML -traceback -assume buffered_io 
-I/opt/intel/oneapi/mkl/2025.0/include -standard-semantics 
-L/opt/intel/oneapi/mkl/2025.0/lib/ -lpthread -lm -ldl -liomp5
Copying programs
...

Compile time errors (if any) were:


Check file   compile.msg   in the corresponding SRC_* directory for the
compilation log and more info on any compilation problem.

Best Regards,

Gavin
WIEN2k user

On 12/27/2024 9:04 AM, Gavin Abo wrote:
>
> The problem I've encountered with using -standard-semantics is that 
> only lapw0 and lapw1 don't compile with unreferenced errors (e.g., 
> libxc).  Currently, a workaround seems to be to recompile lapw0 and 
> lapw1 with -O0 without -standard-semantics.
>
> I tried removing -pad but the segmentation error still happens:
>
> username at computername:~/WIEN2k/SRC_dstart$ grep 'OPT =' Makefile
> FOPT =  -O -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback 
> -assume buffered_io -I$(MKLROOT)/include $(OMP_SWITCH)
> FPOPT =  -O -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback 
> -assume buffered_io -I$(MKLROOT)/include $(OMP_SWITCHP) $(OMP_SWITCHP)
> username at computername:~/WIEN2k/SRC_dstart$ make
> ...
> make dstart FORT=ifx FFLAGS=' -O -FR -mp1 -w -prec_div -pc80 -ip 
> -DINTEL_VML -traceback -assume buffered_io 
> -I/opt/intel/oneapi/mkl/2025.0/include -qopenmp   '
> make[1]: Entering directory '/home/username/WIEN2k/SRC_dstart'
> ...
> ifx -O -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback -assume 
> buffered_io -I/opt/intel/oneapi/mkl/2025.0/include -qopenmp    -c charge.f
>           #0 0x0000615e21717b41
>           #1 0x0000615e2177c457
>           #2 0x0000615e2177c585
>           #3 0x0000071d83e45320
>           #4 0x0000615e2089cba0
>           #5 0x0000615e22ab0f28
>           #6 0x0000615e21089b27
>           #7 0x0000615e2108966c
>           #8 0x0000615e2125b59a
>           #9 0x0000615e20fc7253
>          #10 0x0000615e20e7e752
>          #11 0x0000615e20c0baac
>          #12 0x0000615e20c0ac9d
>          #13 0x0000615e20c0abf1
>          #14 0x0000615e20febfe2
>          #15 0x0000615e20bb0c1c
>          #16 0x0000615e208f2e94
>          #17 0x0000615e208f2cb9
>          #18 0x0000615e20869241
>          #19 0x0000615e20868f71
>          #20 0x0000615e2097f34a
>          #21 0x0000615e2097f121
>          #22 0x0000615e20e9c8a9
>          #23 0x0000615e216b4cfa
>          #24 0x0000615e216b2a37
>          #25 0x0000615e2165e64b
>          #26 0x0000615e2183a704
>          #27 0x0000071d83e2a1ca
>          #28 0x0000071d83e2a28b __libc_start_main + 139
>          #29 0x0000615e2149519e
>
> charge.f: error #5633: **Internal compiler error: segmentation 
> violation signal raised** Please report this error along with the 
> circumstances in which it occurred in a Software Problem Report.  
> Note: File and line given may not be explicit cause of this error.
> compilation aborted for charge.f (code 3)
>
> ...
>
> Gavin
> WIEN2k user
>
> On 12/27/2024 8:37 AM, Laurence Marks wrote:
>> Try removing -pad
>>
>> ---
>> Emeritus Professor Laurence Marks (Laurie)
>> www.numis.northwestern.edu <http://www.numis.northwestern.edu>
>> https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en 
>> <https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en>
>> "Research is to see what everybody else has seen, and to think what 
>> nobody else has thought" Albert Szent-Györgyi
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