Problem in building cp2k with libint

[Axel]

On Apr 16, 6:41 am, afs <alexan... at uni-graz.at> wrote:
> dear all,
>
> I'm trying to make cp2k including HF exchange for the x86-64
> architecture using intel ifort (10.1.018), icc (10.1.018) and mkl
> (10.0.4.023).
>
> cp2k without libint works smoothly; no errors occured during
> installation of libint-1.1.2 and compilation of the wrapper (following
> the instructions in the installation guide).
> LIBS     = /home/sax/cp2k/libint_tools/libint_cpp_wrapper_i.o\
> -L/opt/intel/mkl/10.0.4.023/lib/em64t -lmkl_lapack64 -lmkl -lguide\
> /opt/intel/mkl/10.0.4.023/lib/em64t/libfftw3xf_intel.a\
> /usr/local/libint/1.1.2-stable/intel/lib/libderiv.a\
> /usr/local/libint/1.1.2-stable/intel/lib/libdint.a\

typo alert! you have libdint.a instead of libint.a

> -lstdc++ -lpthread
[...]

> `hfx_libint_wrapper_mp_terminate_libint_':
> hfx_libint_wrapper.f90:(.text+0x410): undefined reference to
> `free_libint'
> /home/sax/cp2k/makefiles/../lib/Linux-x86-64-ifort/sopt/libcp2k_lib.a
> (hfx_libint_wrapper.o): In function
> `hfx_libint_wrapper_mp_initialize_libint_':
> hfx_libint_wrapper.f90:(.text+0x435): undefined reference to
> `init_libint_base'
> hfx_libint_wrapper.f90:(.text+0x447): undefined reference to
> `init_libint'

ok. those undefined references come from libint.a, so you
should check your arch file.

cheers,
   axel.