[Wien] compilation of libxc

[Gavin Abo]

Sometimes "make" might skip over rebuilding a file (e.g., 
xc_f03_lib_m.mod) if has already been compiled before.  To ensure that 
the file was recreated with the current compiler, did you either a) 
remove the libxc folder and start the libxc installation over from the 
tarball or b) run "make clean" for libxc before you did the "make"?

Kind Regards,
Gavin
WIEN2k user


On 9/15/2024 9:58 AM, Lyudmila Dobysheva via Wien wrote:
> Dear all,
>
> I am trying to make the mGGA calculation. So I've installed the libxc 
> library with FC=ifort CC=cc which were also used for compilation of 
> lapw0. As far as I saw, the libxc compilation passed well, with all 
> libraries in the libxc/lib present.
>
> But when I make recompilation of lapw0 it gives errors:
> make ./lapw0 FORT=ifort FFLAGS=' -O1 -FR -mp1 -w -prec_div -pc80 -pad 
> -ip -DINTEL_VML -traceback -assume buffered_io 
> -I/misc/umt_shared/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include 
> -DLIBXC -I/home/u3104/_scratch2/BIN/libxc/include  -DFFTW3 -DFFTW_OMP 
> -I/home/u3104/.local/include  -qopenmp'
> make[1]: enters dir «/misc/home6/u3104/BIN/WIEN2k_23.2/SRC_lapw0»
> ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
> -assume buffered_io 
> -I/misc/umt_shared/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include 
> -DLIBXC -I/home/u3104/_scratch2/BIN/libxc/include  -DFFTW3 -DFFTW_OMP 
> -I/home/u3104/.local/include  -qopenmp -c modules.F
> ifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
> -assume buffered_io 
> -I/misc/umt_shared/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include 
> -DLIBXC -I/home/u3104/_scratch2/BIN/libxc/include  -DFFTW3 -DFFTW_OMP 
> -I/home/u3104/.local/include  -qopenmp -c libxc_mod.F
>
> libxc_mod.F(4): error #7013: This module file was not generated by any 
> release of this compiler.   [XC_F03_LIB_M]
>   use xc_f03_lib_m
> ------^
> ... And many others following.
>
> The file xc_f03_lib_m.mod is present in libxc/include
> But it is rather small (23836 B). Fortran at this supercomputer is 
> ifort version 19.1.0.166
>
> At my personal computer with ifort version 2021.13.0, the compilation 
> of libxc and lapw0 succeeded (the size of xc_f03_lib_m.mod here is 
> 233759 B).
> Sizes of libraries libxcf90.a, libxcf03.a, libxc.a are close for both 
> computers.
>
> Could you help me please
> Thanks
> Lyudmila Dobysheva
> ------------------
> http://ftiudm.ru/content/view/25/103/lang,english/
> Institute of Physics and Technology,
> Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
> 426000 Izhevsk Kirov str. 132
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