<div dir="ltr"><div>Dear WIEN2k user,</div><div> </div><div>"make clean" before "make" works. Still have errors in SRC_lapw0/compile.msg file. Please suggest how to fix it. Thank you.</div><div><br></div><div>------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------</div><div>ld: libxc_mod.o: in function `libxc_mod_mp_libxc_end_':<br>libxc_mod.F:(.text+0x67): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_end_'<br>ld: libxc_mod.F:(.text+0xc2): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_end_'<br>ld: libxc_mod.o: in function `libxc_mod_mp_libxc_init_':<br>libxc_mod.F:(.text+0x15b): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'<br>ld: libxc_mod.F:(.text+0x16f): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'<br>ld: libxc_mod.F:(.text+0x18a): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'<br>ld: libxc_mod.F:(.text+0x19e): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'<br>ld: libxc_mod.F:(.text+0x1d9): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_set_ext_params_'<br>ld: libxc_mod.F:(.text+0x1e7): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>ld: libxc_mod.F:(.text+0x200): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>ld: libxc_mod.F:(.text+0x215): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>ld: libxc_mod.F:(.text+0x225): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>ld: inputpars.o: in function `inputpars_':<br>inputpars.F:(.text+0x1f04): undefined reference to `xc_f03_lib_m_mp_xc_f03_version_'<br>ld: inputpars.F:(.text+0x69c5): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_set_ext_params_'<br>ld: inputpars.F:(.text+0x70bb): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'<br>ld: inputpars.F:(.text+0x70d9): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>ld: inputpars.F:(.text+0x70f1): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>ld: inputpars.F:(.text+0x7101): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>ld: inputpars.F:(.text+0x7478): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_init_'<br>ld: inputpars.F:(.text+0x7489): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_get_info_'<br>ld: inputpars.F:(.text+0x74ae): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_flags_'<br>ld: inputpars.F:(.text+0x74be): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>ld: libxc.o: in function `libxc_':<br>libxc.F:(.text+0x141): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_number_'<br>ld: libxc.F:(.text+0x15f): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>ld: libxc.F:(.text+0x210): undefined reference to `xc_f03_lib_m_mp_xc_f03_gga_exc_vxc_'<br>ld: libxc.F:(.text+0x248): undefined reference to `xc_f03_lib_m_mp_xc_f03_gga_fxc_'<br>ld: libxc.F:(.text+0x34b): undefined reference to `xc_f03_lib_m_mp_xc_f03_gga_vxc_'<br>ld: libxc.F:(.text+0x500): undefined reference to `xc_f03_lib_m_mp_xc_f03_mgga_exc_vxc_'<br>ld: libxc.F:(.text+0x57f): undefined reference to `xc_f03_lib_m_mp_xc_f03_mgga_fxc_'<br>ld: libxc.F:(.text+0x697): undefined reference to `xc_f03_lib_m_mp_xc_f03_mgga_vxc_'<br>ld: libxc.F:(.text+0x6f9): undefined reference to `xc_f03_lib_m_mp_xc_f03_lda_exc_vxc_'<br>ld: libxc.F:(.text+0x738): undefined reference to `xc_f03_lib_m_mp_xc_f03_func_info_get_family_'<br>ld: libxc.F:(.text+0xab5): undefined reference to `xc_f03_lib_m_mp_xc_f03_gga_exc_vxc_'<br>ld: libxc.F:(.text+0xaed): undefined reference to `xc_f03_lib_m_mp_xc_f03_gga_fxc_'<br>ld: libxc.F:(.text+0xdba): undefined reference to `xc_f03_lib_m_mp_xc_f03_gga_vxc_'<br>ld: libxc.F:(.text+0x1276): undefined reference to `xc_f03_lib_m_mp_xc_f03_mgga_exc_vxc_'<br>ld: libxc.F:(.text+0x1305): undefined reference to `xc_f03_lib_m_mp_xc_f03_mgga_fxc_'<br>ld: libxc.F:(.text+0x1696): undefined reference to `xc_f03_lib_m_mp_xc_f03_mgga_vxc_'<br>ld: libxc.F:(.text+0x16fa): undefined reference to `xc_f03_lib_m_mp_xc_f03_lda_exc_vxc_'<br>make[1]: *** [Makefile:136: lapw0] Error 1<br>make[1]: Leaving directory '/home/banasree/Packages/WIEN2k24/SRC_lapw0'<br>make: *** [Makefile:125: seq] Error 2<br>make: *** No rule to make target 'complex'. Stop.</div><div>------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------</div><div><br></div><div><br></div></div><br><div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Thu, Feb 13, 2025 at 10:05 AM Banashree Sadhukhan <<a href="mailto:banasree.sadhukhan@gmail.com">banasree.sadhukhan@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear Executive,</div><div><br></div><div>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 (<a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2024-March/033734.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2024-March/033734.html</a>).
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.</div><div><br></div><div>***********************************************************************</div><div>Error message :</div><div><br></div><div>Compile time errors (if any) were:<br>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]<br>SRC_lapw0/compile.msg:libxc_mod.F(9): error #6457: This derived type name has not been declared. [XC_F03_FUNC_T]<br>SRC_lapw0/compile.msg:libxc_mod.F(10): error #6457: This derived type name has not been declared. [XC_F03_FUNC_INFO_T]<br>SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not accessible. [XCCONST]<br>SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not accessible. [VX_SWITCH]<br>SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not accessible. [VC_SWITCH]<br>SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not accessible. [EX_SWITCH]<br>SRC_lapw0/compile.msg:libxc_mod.F(5): error #6580: Name in only-list does not exist or is not accessible. [EC_SWITCH]<br>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]<br>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]<br>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]<br>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]<br>SRC_lapw0/compile.msg:libxc_mod.F(34): error #6404: This name does not have a type, and must have an explicit type. [XCCONST]<br>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]<br>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]<br>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]<br>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]<br>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]<br>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]<br>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]<br></div><div><br></div><div><br></div><div>***********************************************************************<br> Current settings:<br> M OpenMP switch: -qopenmp<br>
O Compiler options: -O -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include<br> L Linker Flags: $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread -lm -ldl -liomp5<br> P Preprocessor flags '-DParallel'<br> R R_LIBS (LAPACK+BLAS): -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core<br> F FFTW options: -DFFTW3 -DFFTW_OMP -I/usr/local/include<br> FFTW-LIBS: -L/usr/local/lib -lfftw3 -lfftw3_omp<br> X LIBX options: -DLIBXC -I/usr/local/include<br> LIBXC-LIBS: -L/usr/local/lib -lxcf03 -lxc<br>***********************************************************************</div><div><br></div><div>Best regards,</div><div>Banasree</div><br></div>
</blockquote></div>