[CP2K:2000] Re: Problem in building cp2k with libint

[alexander sax]

Axel schrieb:
>
> 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.
>   
thank you axel,

I think I need new glasses.

in the meantime: cheers!

alex
>
> >
>   


-- 
 
==============================================================================

Alexander F. Sax                e-mail: alexan... at uni-graz.at
Institut fuer Chemie            tel. : +43 316 380 5513
Karl-Franzens-Universitaet Graz FAX  : +43 316 380 9850
Heinrichstrasse 28              http://www.uni-graz.at/tchwww/sax/afs.html
A-8010 Graz AUSTRIA


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