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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