[Wien] Problem with libxc during WIEN2K installation
Banashree Sadhukhan
banasree.sadhukhan at gmail.com
Fri Feb 14 12:23:29 CET 2025
Dear WIEN2k user,
"make clean" before "make" works. Still have errors in
SRC_lapw0/compile.msg file. Please suggest how to fix it. Thank you.
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
ld: libxc_mod.o: in function `libxc_mod_mp_libxc_end_':
libxc_mod.F:(.text+0x67): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_end_'
ld: libxc_mod.F:(.text+0xc2): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_end_'
ld: libxc_mod.o: in function `libxc_mod_mp_libxc_init_':
libxc_mod.F:(.text+0x15b): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'
ld: libxc_mod.F:(.text+0x16f): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'
ld: libxc_mod.F:(.text+0x18a): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'
ld: libxc_mod.F:(.text+0x19e): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'
ld: libxc_mod.F:(.text+0x1d9): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_set_ext_params_'
ld: libxc_mod.F:(.text+0x1e7): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'
ld: libxc_mod.F:(.text+0x200): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'
ld: libxc_mod.F:(.text+0x215): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'
ld: libxc_mod.F:(.text+0x225): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'
ld: inputpars.o: in function `inputpars_':
inputpars.F:(.text+0x1f04): undefined reference to
`xc_f03_lib_m_mp_xc_f03_version_'
ld: inputpars.F:(.text+0x69c5): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_set_ext_params_'
ld: inputpars.F:(.text+0x70bb): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'
ld: inputpars.F:(.text+0x70d9): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'
ld: inputpars.F:(.text+0x70f1): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'
ld: inputpars.F:(.text+0x7101): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'
ld: inputpars.F:(.text+0x7478): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_init_'
ld: inputpars.F:(.text+0x7489): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_get_info_'
ld: inputpars.F:(.text+0x74ae): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'
ld: inputpars.F:(.text+0x74be): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'
ld: libxc.o: in function `libxc_':
libxc.F:(.text+0x141): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_number_'
ld: libxc.F:(.text+0x15f): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'
ld: libxc.F:(.text+0x210): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_exc_vxc_'
ld: libxc.F:(.text+0x248): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_fxc_'
ld: libxc.F:(.text+0x34b): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_vxc_'
ld: libxc.F:(.text+0x500): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_exc_vxc_'
ld: libxc.F:(.text+0x57f): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_fxc_'
ld: libxc.F:(.text+0x697): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_vxc_'
ld: libxc.F:(.text+0x6f9): undefined reference to
`xc_f03_lib_m_mp_xc_f03_lda_exc_vxc_'
ld: libxc.F:(.text+0x738): undefined reference to
`xc_f03_lib_m_mp_xc_f03_func_info_get_family_'
ld: libxc.F:(.text+0xab5): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_exc_vxc_'
ld: libxc.F:(.text+0xaed): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_fxc_'
ld: libxc.F:(.text+0xdba): undefined reference to
`xc_f03_lib_m_mp_xc_f03_gga_vxc_'
ld: libxc.F:(.text+0x1276): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_exc_vxc_'
ld: libxc.F:(.text+0x1305): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_fxc_'
ld: libxc.F:(.text+0x1696): undefined reference to
`xc_f03_lib_m_mp_xc_f03_mgga_vxc_'
ld: libxc.F:(.text+0x16fa): undefined reference to
`xc_f03_lib_m_mp_xc_f03_lda_exc_vxc_'
make[1]: *** [Makefile:136: lapw0] Error 1
make[1]: Leaving directory '/home/banasree/Packages/WIEN2k24/SRC_lapw0'
make: *** [Makefile:125: seq] Error 2
make: *** No rule to make target 'complex'. Stop.
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
On Thu, Feb 13, 2025 at 10:05 AM Banashree Sadhukhan <
banasree.sadhukhan at gmail.com> wrote:
> 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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