[Wien] installation error

[Gavin Abo]

Use of libxc can be optional. So, one solution, if you don't plan to use 
any of the functionals from libxc, would be to adjust your siteconfig 
settings to not use libxc.

Or:

libxc_mod.F(4): error #7002: Error in opening the compiled module file. 
<- Message might indicate libxc was compiled with a different set of 
compilers (e.g, gfortran and gcc) instead of the same compilers as 
WIEN2k (i.e., the ifx and icc that you mention) or it might be picking 
up different version of the library installed somewhere on the system if 
it was compiled differently for another program.  So, you may need to 
recompile libxc with ifx and icc.

Check INCLUDE paths.   [XC_F03_LIB_M] <- Message indicates your include 
path in siteconfig might not be correct.  So, you may need to fix the 
include paths to point to your libxc that was compile with ifx and icc.

Kind Regards,

Gavin
WIEN2k user

On 7/6/2025 5:04 AM, susanta mohanta wrote:
> Dear Professor Gavin Abo and wien2k users.
>                  I am trying to install wien2k 24.1 version with 
> ifort=ifx and cc-icx (latest OneAPI,25.02 version); with the 
> documentation provided Prof. Abo; I could install everything but 
> having one issue in ./siteconfig
>
> Compile time errors (if any) were:
> 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:make[1]: *** [Makefile:176: libxc_mod.o] Error 1
> SRC_lapw0/compile.msg:make: *** [Makefile:125: seq] Error 2
>
> Any suggestion to get rid of this error is appreciable. I apologize if 
> this message is repated in mailing list as I could not find reports 
> like this.
>
> with warm regards
> Susanta
>
> -- 
> *Dr. Susanta Kumar Mohanta*
> Assistant Professor in Physics
> Dept. of Basic Sciences
> Government College ofEngineering Kalahandi,
> Bhwanipatna-766002, Odish
> 7328025509, 8249969717
>
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