I will send a few variants of charge.f next week. The cleanest solution is probably to add to relevant routines something like #ifdef _IFX $NOOPTOMIZE #endif
I don't have access at the moment to the ifx docu to determine what the right directives are. --- Emeritus Professor Laurence Marks (Laurie) www.numis.northwestern.edu https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi On Fri, Dec 27, 2024, 16:04 Gavin Abo <[email protected]> wrote: > The problem I've encountered with using -standard-semantics is that only > lapw0 and lapw1 don't compile with unreferenced errors (e.g., libxc). > Currently, a work around seems to be to recompile lapw0 and lapw1 with -O0 > without -standard-semantics. > > I tried removing -pad but the segmentation error still happens: > > username@computername:~/WIEN2k/SRC_dstart$ 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) $(OMP_SWITCHP) > username@computername:~/WIEN2k/SRC_dstart$ 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 > > __________________ > > Wien mailing list > [email protected] > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/[email protected]/index.html >
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