R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9

[Axel]

On Oct 18, 8:53 pm, Roberto Scipioni <robertino... at yahoo.it>
wrote:
> well unfortunately the synthoms change by changing the conditons
> (i.e. compilers, math libraries, etc ...)
>
> The general error is that the libraries give
>
> undefined references to ....

that usually means, that you specified them in the wrong order,
that the library is not readable (the /root/fftw-xxx one is
very suspicious), that you compiled the library wrong, or
specified not all required libraries (i.e. you forgot lapack)
or that you changed the arch/xxxx file and then continued compilation
without removing all previously compiled objects and libraries.

none of that is actually very specific to cp2k,
but would cause similar problems with other packages.

cheers,
   axel.

>
> for example in what follows is the concluding part of the error
>
> ----------------
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x205): In function `ff                          tw31dm_':
> : undefined reference to `zdscal_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x256): In function `ff                          tw31dm_':
> : undefined reference to `dfftw_plan_many_dft_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x329): In function `ff                          tw33d_':
> : undefined reference to `dfftw_execute_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x335): In function `ff                          tw33d_':
> : undefined reference to `dfftw_destroy_plan_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x372): In function `ff                          tw33d_':
> : undefined reference to `zdscal_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x3a5): In function `ff                          tw33d_':
> : undefined reference to `zdscal_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x3dc): In function `ff                          tw33d_':
> : undefined reference to `dfftw_plan_dft_3d_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x410): In function `ff                          tw33d_':
> : undefined reference to `dfftw_plan_dft_3d_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x444): In function `ff                          tw33d_':
> : undefined reference to `dfftw_plan_dft_3d_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftw3_lib.o)(.text+0x478): In function `ff                          tw33d_':
> : undefined reference to `dfftw_plan_dft_3d_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0x1a9): In function `                          fftacml1dm_':
> : undefined reference to `zfft1mx_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0x227): In function `                          fftacml1dm_':
> : undefined reference to `zfft1mx_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0x4aa): In function `                          fftacml3d_':
> : undefined reference to `zfft3dx_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(fftacml_lib.o)(.text+0x510): In function `                          fftacml3d_':
> : undefined reference to `zfft3dx_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_fft_lib.a(mltfftsg_tools.o)(.text+0xf): In function                           `mltfftsg_tools_mp_scaled_':
> : undefined reference to `dscal_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_base_lib.a(fast.o)(.text+0x8f2): In function `rankup                          _':
> : undefined reference to `zgeru_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_base_lib.a(fast.o)(.text+0x909): In function `rankup                          _':
> : undefined reference to `zscal_'
> /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libcp2k_base_lib.a(fast.o)(.text+0x941): In function `rankup                          _':
> : undefined reference to `zgeru_'
> make[2]: *** [/home/robechan/cp2k_new2/cp2k/makefiles/../exe/Linux-x86-64-intel/cp2k.sopt] Error 1
> make[2]: Leaving directory `/home/robechan/cp2k_new2/cp2k/obj/Linux-x86-64-intel/sopt'
> make[1]: *** [build] Error 2
> make[1]: Leaving directory `/home/robechan/cp2k_new2/cp2k/makefiles'
> make: *** [sopt] Error 2
>
> ------------------------
>
> Roberto
>
> -
>
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