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

[Peter Blaha]

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]

This states, that it does not find the   xc_f03_lib_m.mod  file, which 
should have been created when compiling libxc. Usually ifort finds it 
due to      -I$(LIBXCROOT)include   (check your Makefile).

i) Check if this module file is actually present in $(LIBXCROOT)include

ii) if it exists, it seems that this   ifx  does not include  *.mod 
files in his "include"-path.

iii) A dirty fix would be to copy this mod file into $WIENROOT/SRC_lapw0
(this is dirty, as when you update libxc, you have to copy this file 
again...

iv) A better solution would be to find out how to include module files 
(maybe there is a "module"-path, ... in ifx ?)

The other errors you listed are follow up problems.







> 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
> 

-- 
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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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