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

Sun Oct 27 19:17:15 CET 2024

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/