[Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories
Michael Fechtelkord
Michael.Fechtelkord at ruhr-uni-bochum.de
Sun Oct 27 19:27:58 CET 2024
Dear Laurence,
just checked that out using the -O2 flag instead of -O3, but the
compilation error for charge.f is still there (same as before).
Best regards,
Michael
Am 27.10.2024 um 19:22 schrieb Laurence Marks:
> Try -O2 rather than -O3. With ifort I never found O3 useful. Sometimes
> -pad was dodgy.
>
> ___
> Emeritus Professor Laurence Marks (Laurie)
> Department of Materials Science and Engineering, Northwestern University
> www.numis.northwestern.edu <http://www.numis.northwestern.edu>
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought" Albert Szent-Györgyi
>
> On Sun, Oct 27, 2024, 13:17 Michael Fechtelkord via Wien
> <wien at zeus.theochem.tuwien.ac.at> wrote:
>
> Dear all,
>
>
> the libxc problem does not longer exist. I used the newest ifx
> version
> now. Most parts of WIEN2k compile without problems. Two source files
> still make problems.
>
>
> 1) charge.f (in different source directories, same error always)
>
> mpiifx -O3 -xAVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -assume buffered_io -I/opt/intel/oneapi/mkl/2025.0/include
> -qopenmp -DParallel -c charge.f
> #0 0x000000000310cce1
> #1 0x00000000031715d7
> #2 0x0000000003171705
> #3 0x0000148436a57980
> #4 0x0000000002291d60
> #5 0x00000000044a6048
> #6 0x0000000002a7aa37
> #7 0x0000000002a7a57c
> #8 0x0000000002c4c4ca
> #9 0x00000000029b8173
> #10 0x00000000028743b2
> #11 0x000000000260103c
> #12 0x000000000260022d
> #13 0x0000000002600181
> #14 0x00000000029ddd62
> #15 0x00000000025a617c
> #16 0x00000000022e8064
> #17 0x00000000022e7e89
> #18 0x000000000225e401
> #19 0x000000000225e131
> #20 0x000000000237461a
> #21 0x00000000023743f1
> #22 0x00000000028924e9
> #23 0x00000000030a9e9a
> #24 0x00000000030a7bd7
> #25 0x00000000030537eb
> #26 0x000000000322f884
> #27 0x0000148436a40eec
> #28 0x0000148436a40fb5 __libc_start_main + 135
> #29 0x0000000002e8a34e
>
> 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 So
> ftware Problem Report. Note: File and line given may not be explicit
> cause of this error.
> compilation aborted for charge.f (code 3)
>
> 2) SearchZ_tmp_.F
>
> ifx -O3 -xAVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
> -traceback -assume buffered_io
> -I/opt/intel/oneapi/mkl/2025.0/include -c
> SearchZ_tmp_.F
> #0 0x000000000310cce1
> #1 0x00000000031715d7
> #2 0x000000000315cfda
> #3 0x0000000003073fb6
> #4 0x00000000030c411e
> #5 0x00000000031063e6
> #6 0x000000000310002f
> #7 0x00000000030fe080
> #8 0x00000000030fd24d
> #9 0x00000000031bf819
> #10 0x00000000031bfe05
> #11 0x00000000031bcff8
> #12 0x00000000031bf819
> #13 0x00000000031bfe05
> #14 0x00000000031c2909
> #15 0x00000000031bf819
> #16 0x00000000031bcc3e
> #17 0x00000000031bf819
> #18 0x000000000305397b
> #19 0x0000000003053317
> #20 0x000000000322f884
> #21 0x000015481a240eec
> #22 0x000015481a240fb5 __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)
>
>
> Best regards,
>
> Michael
>
>
>
>
> Am 27.10.2024 um 15:21 schrieb Michael Fechtelkord via Wien:
> > Dear all,
> >
> >
> > just a few new results and informatuion using the Intel ifx
> compiler.
> > ELPA, FFTW, LIBXC and MPICH compile fine and also check procedure
> > shows no errors.
> >
> >
> > WIEN2k seems to have problems when using no explicit types for
> > variables. A short summary of the errors all in libxc_mod.F:
> >
> > SRC_lapw0/compile.msg:libxc_mod.F(4): error #7002: Error in opening
> > the compiled module file. Check INCLUDE paths. [XC_F03_LIB_M]
> > SRC_lapw0/compile.msg:libxc_mod.F(9): error #6457: This derived
> type
> > name has not been declared. [XC_F03_FUNC_T]
> > SRC_lapw0/compile.msg:libxc_mod.F(10): error #6457: This derived
> type
> > name has not been declared. [XC_F03_FUNC_INFO_T]
> > SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_FUNC_X]
> > SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_UNPOLARIZED]
> > SRC_lapw0/compile.msg:libxc_mod.F(23): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_FUNC_C]
> > SRC_lapw0/compile.msg:libxc_mod.F(25): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_POLARIZED]
> > SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_INFO_C]
> > SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_F03_FUNC_GET_INFO]
> > SRC_lapw0/compile.msg:libxc_mod.F(39): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_INFO_X]
> > SRC_lapw0/compile.msg:libxc_mod.F(40): error #6404: This name
> does not
> > have a type, and must have an explicit type.
> [XC_F03_FUNC_INFO_GET_FLAGS]
> > SRC_lapw0/compile.msg:libxc_mod.F(4): error #7002: Error in opening
> > the compiled module file. Check INCLUDE paths. [XC_F03_LIB_M]
> > SRC_lapw0/compile.msg:libxc_mod.F(9): error #6457: This derived
> type
> > name has not been declared. [XC_F03_FUNC_T]
> > SRC_lapw0/compile.msg:libxc_mod.F(10): error #6457: This derived
> type
> > name has not been declared. [XC_F03_FUNC_INFO_T]
> > SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_FUNC_X]
> > SRC_lapw0/compile.msg:libxc_mod.F(22): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_UNPOLARIZED]
> > SRC_lapw0/compile.msg:libxc_mod.F(23): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_FUNC_C]
> > SRC_lapw0/compile.msg:libxc_mod.F(25): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_POLARIZED]
> > SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_INFO_C]
> > SRC_lapw0/compile.msg:libxc_mod.F(38): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_F03_FUNC_GET_INFO]
> > SRC_lapw0/compile.msg:libxc_mod.F(39): error #6404: This name
> does not
> > have a type, and must have an explicit type. [XC_INFO_X]
> > SRC_lapw0/compile.msg:libxc_mod.F(40): error #6404: This name
> does not
> > have a type, and must have an explicit type.
> [XC_F03_FUNC_INFO_GET_FLAGS]
> >
> > In addition Segmenation violation signals occur in several modules.
> >
> >
> > 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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--
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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