[CP2K:4510] CP2K 2.0.4 compilation failed while testing libraries

[Ari Paavo Seitsonen]

Dear Fahimeh,

  It is a different error message. You have specified the pre-processor
flag '-D__HAS_smm_dnn' but not the corresponding library during the
linking. Either remove the pre-processor flag and run 'make clean && make'
or insert the library for the "smm_dnn" (you might have to install it first
if it is not yet installed).

    Greetings from Finland,

       apsi


2013/7/31 Fahimeh Baftizadeh <fahimeh.b... at googlemail.com>

> Thanks Michael,
>
> This is after I modified the script and recompiled it.
>
>  -lgoto2 -L/home/fbafti/CODE/scalapack_installer_dir/lib/  -lscalapack
> -L/home/fbafti/CODE/fftw3/lib/ -lfftw3 -L/share/apps/math_libs/libint/lib/
> -lderiv -lint -lstdc++ -lpthread
> /home/fbafti/CODE/cp2k-2.4.0/makefiles/../lib/Linux-x86-64-gfortran/popt/libcp2k_dbcsr_lib.a(dbcsr_mm_stack.o):
> In function `__dbcsr_mm_stack_MOD_process_mm_stack_cpu':
> dbcsr_mm_stack.F:(.text+0x2ceb): undefined reference to `smm_dnn_'
> dbcsr_mm_stack.F:(.text+0x2d2c): undefined reference to `smm_dnn_'
> dbcsr_mm_stack.F:(.text+0x2d65): undefined reference to `smm_dnn_'
> dbcsr_mm_stack.F:(.text+0x2d97): undefined reference to `smm_dnn_'
> collect2: error: ld returned 1 exit status
> make[1]: ***
> [/home/fbafti/CODE/cp2k-2.4.0/makefiles/../exe/Linux-x86-64-gfortran/cp2k.popt]
> Error 1
> make[1]: Leaving directory
> `/home/fbafti/CODE/cp2k-2.4.0/obj/Linux-x86-64-gfortran/popt'
> make: *** [build] Error 2
>
> The same as before!
> What do you think?
>
> Fahimeh
>
>
> On Tuesday, July 30, 2013 12:38:00 PM UTC-4, Michael wrote:
>>
>> Hi,
>>
>> On Tue, Jul 30, 2013 at 09:26:20AM -0700, Fahimeh Baftizadeh wrote:
>> > I have installed gcc, GotoBLAS, scalapack, Libint, openmpi and all
>> other
>> > requirements.
>> > This is the arch file which I have modified according to my libraries
>> path:
>>
>> [...]
>>
>> > LIBS     = -L/home/fbafti/CODE/GotoBLAS2/**libgoto2.so
>>
>> I don't think this will work, the -L switch is to add directories to be
>> searched for libraries usually.
>>
>> So maybe try "-L/home/fbafti/CODE/**GotoBLAS2/ -lgoto2" or something.
>>
>>
>> Michael
>>
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-- 
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  Ari P Seitsonen / Ari.P.S... at iki.fi / http://www.iki.fi/~apsi/
  Physikalisch-Chemisches Institut der Universität Zürich
  Tel: +41 44 63 55 44 97  /  Mobile: +41 79 71 90 935
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