[Wien] Problem with libxc during WIEN2K installation

Banashree Sadhukhan banasree.sadhukhan at gmail.com
Thu Feb 13 05:35:50 CET 2025


Dear Executive,

I am registered usur of WIEN2K (WIEN2k_24.1) with Registration-ID
WIEN2k-3897. I got some errors due to libxc (./siteconfig_lapw) which I
could not be able to short out by watching the installation video and
previous mailing list (
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2024-March/033734.html). I
installed libxc-7.0.0 and installed it with ifort, but still got an error
message (paste the error below). I also attached compile.msg for your
convenience. May I request your suggestion to fix it? Otherwise I would not
be able to install it. Thank you.

***********************************************************************
Error message :

Compile time errors (if any) were:
SRC_lapw0/compile.msg:libxc_mod.F(4): error #7013: This module file was not
generated by any release of this compiler.   [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(5): error #6580: Name in only-list does
not exist or is not accessible.   [XCCONST]
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
not exist or is not accessible.   [VX_SWITCH]
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
not exist or is not accessible.   [VC_SWITCH]
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
not exist or is not accessible.   [EX_SWITCH]
SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does
not exist or is not accessible.   [EC_SWITCH]
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(34): error #6404: This name does not have
a type, and must have an explicit type.   [XCCONST]
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(56): error #6404: This name does not have
a type, and must have an explicit type.   [VC_SWITCH]
SRC_lapw0/compile.msg:libxc_mod.F(56): error #6404: This name does not have
a type, and must have an explicit type.   [EC_SWITCH]
SRC_lapw0/compile.msg:libxc_mod.F(57): error #6404: This name does not have
a type, and must have an explicit type.   [VX_SWITCH]


***********************************************************************
  Current settings:
  M   OpenMP switch:           -qopenmp
  O   Compiler options:        -O -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include
  L   Linker Flags:            $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH)
-lpthread -lm -ldl -liomp5
  P   Preprocessor flags       '-DParallel'
  R   R_LIBS (LAPACK+BLAS):    -lmkl_intel_lp64 -lmkl_intel_thread
-lmkl_core
  F   FFTW options:            -DFFTW3 -DFFTW_OMP -I/usr/local/include
      FFTW-LIBS:               -L/usr/local/lib -lfftw3 -lfftw3_omp
  X   LIBX options:            -DLIBXC -I/usr/local/include
      LIBXC-LIBS:              -L/usr/local/lib -lxcf03 -lxc
***********************************************************************

Best regards,
Banasree
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