[Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories
Laurence Marks
laurence.marks at gmail.com
Sun Oct 27 19:22:03 CET 2024
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
"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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