[Wien] ifort classic compiler now discontinued in one-api 2025.0 online repositories
Peter Blaha
peter.blaha at tuwien.ac.at
Sun Oct 27 20:04:43 CET 2024
charge.f is in SRC_Globals (in the other SRC_* dirs there should only
be a softlink to it.
charge.f contains several subroutines/functions. Maybe this fact or that
there are too many may cause the problem.
The way to debug is to split this charge.f into several files (maybe use
"bisection") and compile each part individually until the problem can be
located (or is gone).
In SRC_Globals split it into two parts and
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 c1.f
and
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 c2.f
If a problem occurs, split further ...
---------------------------------------------
SearchZ.F (was added by L. Marks)
maybe one needs a "external RHOSTM" statement at the beginning.
> call RTBIS(RHOSTM,X1,X2,XACC,CTarget,ISTM,RT)
> ---------------------------^
Rhostm is a function, passed into a subroutine ....
Am 27.10.2024 um 19:17 schrieb Michael Fechtelkord via Wien:
> 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
>>
--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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