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

[Axel]

On Oct 18, 10:25 pm, "S. Ling" <lsl.m... at googlemail.com> wrote:
> This error information is very common. Besides what Axel has
> mentioned, it might also be a result of mixing different compilers,
> e.g. you use GNU compiler to compile the FFTW library, and you use the

please note, that this is _not_ a problem. particularly not with
FFTW3, as this only contains C code and the underscoring conventions
of gfortran and ifort are identical. only g77 (now obsolete), f2c
(predates
g77) and "exotic" compilers (Absoft) have different rules.

on linux it is in general a good idea to compile everything with the
GNU compilers except the (few) applications that require different
compilers or benefit much from it. with well written (c) code one can
actually implement compatibility to many fortran compilers through
#pragma weak directives.


> Intel compiler to compile CP2K, or you compile the FFTW library in 32-
> bit mode and you compile CP2K in 64-bit mode.

this would show in the linker step as "skipping incompatible library
XXXX"

cheers,
   axel.

>
> Hope this helps.
>
> Cheers, Jon
>
> On 10月19日, 上午1时53分, 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 ....
>
> > for example in what follows is the concluding part of the error
>
> > ----------------
> > /home/robechan/cp2k_new2/cp2k/makefiles/../lib/Linux-x86-64-intel/sopt/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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/libc-p2k_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.sop-t] 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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