I'm not sure about all details, since there were a couple of different
contradicting messages. I did not have time yet to install the latest
ifx myself.
However, I can imagine that the latest reported errors are (in part)
"real" problems. I'm referring to the problems listed below:
-----------------------------------------------
SRC_dstart/atom_read.F:
This is a real program bug - although it should never cause a problem.
rholm is allocated and used only within the "#ifdef parallel" section,
except that there is a read statement with error=888.
Here it would jump out of the parallel section and write rholm to some
file and stop. rholm is NOT defined at this point.
The fix is to move the
#endif
statement a few lines down after the "stop".
-------------------------------------------------
SRC_3ddens:
I guess this is a linker problem and comes because the fftw software was
not compiled with omp support. The 2 functions are called only when
FFTW_OMP is set, and if the linker cannot find them, they must be
missing in the fftw-library, because the fftw was not compiled with the
corresponding switches.
...
#ifdef FFTW_OMP
call dfftw_init_threads(omp_error)
call dfftw_plan_with_nthreads(omp_get_max_threads())
#endif
....
------------------------------------------------
SRC_lapw5/SearchZ.F: again, a "real programming error":
...
call RTBIS(RHOSTM,X1,X2,XACC,CTarget,ISTM,RT)
RHOSTM is a function. A function name may be passed into a subroutine
only if defined as "external".
Insert at the beginning of the subroutine a line:
...
dimension VT(3), X1(3),X2(3),Rt(3),AA(3)
external rhostm ! insert
....
-----------------------------------------------
Best regards
Peter
Am 28.10.2024 um 08:52 schrieb Michael Fechtelkord via Wien:
These are the detailed error messages from the compile.msg files (I will
report the SearchZ.F internal compiler error to Intel):
SRC_dstart
/usr/lib64/gcc/x86_64-suse-linux/14/../../../../x86_64-suse-linux/bin/
ld: atom_read.o: in function `rholm_.t94p.t95p':
ifxYWjPzh.i:(.text+0x27): undefined reference to `rholm_'
make[1]: *** [Makefile:99: dstart] Fehler 1
make[1]: Verzeichnis „/usr/local/WIEN2k/SRC_dstart“ wird verlassen
make: *** [Makefile:90: seq] Fehler 2
make: *** Keine Regel, um „complex“ zu erstellen. Schluss.
SRC_3ddens
/usr/lib64/gcc/x86_64-suse-linux/14/../../../../x86_64-suse-linux/bin/
ld: 3ddens.o: in function `dfftw_init_threads_.t1225p':
ifxEONrLm.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':
ifxEONrLm.i:(.text+0xf7b7): undefined reference to
`dfftw_plan_with_nthreads_'
make: *** [Makefile:65: 3ddens] Fehler 1
make: *** Keine Regel, um „complex“ zu erstellen. Schluss.
SRC_lapw5
SearchZ.F: REAL version extracted
ifx -O0 -xAVX2 -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback -
assume buffered_io -I/opt/intel/oneapi/mkl/2025.0/include -c SearchZ_tmp_.F
#0 0x000000000310cce1
#1 0x00000000031715d7
..
#21 0x0000150ba5a40eec
#22 0x0000150ba5a40fb5 __libc_start_main + 135
#23 0x0000000002e8a34e
SearchZ_tmp_.F(114): error #5623: **Internal compiler error: internal
abort** Please report this error along with the circumstances in which
it occurred in a Software Prob
lem Report. Note: File and line given may not be explicit cause of this
error.
call RTBIS(RHOSTM,X1,X2,XACC,CTarget,ISTM,RT)
---------------------------^
compilation aborted for SearchZ_tmp_.F (code 3)
make[1]: *** [Makefile:122: SearchZ.o] Fehler 3
make[1]: Verzeichnis „/usr/local/WIEN2k/SRC_lapw5“ wird verlassen
make: *** [Makefile:74: real] Fehler 2
SearchZ.F: COMPLEX version extracted
ifx -O0 -xAVX2 -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback -
assume buffered_io -I/opt/intel/oneapi/mkl/2025.0/include -c SearchZ_tmp_.F
#0 0x000000000310cce1
#1 0x00000000031715d7
..
#21 0x000015513de40eec
#22 0x000015513de40fb5 __libc_start_main + 135
#23 0x0000000002e8a34e
SearchZ_tmp_.F(114): error #5623: **Internal compiler error: internal
abort** Please report this error along with the circumstances in which
it occurred in a Software Prob
lem Report. Note: File and line given may not be explicit cause of this
error.
call RTBIS(RHOSTM,X1,X2,XACC,CTarget,ISTM,RT)
---------------------------^
compilation aborted for SearchZ_tmp_.F (code 3)
make[1]: *** [Makefile:122: SearchZ.o] Fehler 3
make[1]: Verzeichnis „/usr/local/WIEN2k/SRC_lapw5“ wird verlassen
make: *** [Makefile:77: complex] Fehler 2
Best regards,
Michael
--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: [email protected]
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
-------------------------------------------------------------------------
_______________________________________________
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
