[CP2K:4308] Re: Compilation Problem

[Dominik 'Rathann' Mierzejewski]

Hello Chungwen,

On Thursday, 28 February 2013 at 22:01, Chungwen Liang wrote:
> Thanks for your reply. After doing this, I got this error:
> 
> /usr/bin/ld: cannot find -lfftw3
> collect2: error: ld returned 1 exit status
> make[1]: *** 
> [/home/p254069/cp2k/makefiles/../exe/Linux-x86-64-gfortran/cp2k.sopt] Error 
> 1
> make[1]: Leaving directory 
> `/home/p254069/cp2k/obj/Linux-x86-64-gfortran/sopt'
> make: *** [build] Error 2

The path you specify with -L option must contain libfftw3.so file (which
should be a symlink pointing to libfftw3.so.3.2.2 in your case).
Check that they're both there.

Note that your issue is not cp2k-specific. This is part of basic "how to
compile and link software" knowledge.

> On Thursday, February 28, 2013 9:44:55 PM UTC+1, DEC014 wrote:
> >
> > *CC       = cc*
> > *CPP      =*
> > *FC       = gfortran
> > *
> > *LD       = gfortran*
> > *AR       = ar -r*
> > *
> > *
> > *CPPFLAGS =*
> > *DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 
> > -I/home/p254069/fftw322/include*
> > *FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize -march=native 
> > -ffree-form $(DFLAGS) *
> > *LDFLAGS  = $(FCFLAGS)*
> > *LIBS     = -llapack -lblas -L/home/p254069/fftw322/lib -lfftw3*
> > *
> > *
> > *OBJECTS_ARCHITECTURE = machine_gfortran.o*
> >
> > Add the part in red and see if that doesn't help
> >
> > On Thursday, February 28, 2013 3:21:57 PM UTC-5, Chungwen Liang wrote:
> >>
> >> Dear All,
> >>
> >> I am new to CP2K and try to install it on our cluster.
> >>
> >> my Linux-x86-64-gfortran.sopt file (lapack and blas are installed by 
> >> administrator, and fftw is my own version):
> >>
> >> *CC       = cc*
> >> *CPP      =*
> >> *FC       = gfortran
> >> *
> >> *LD       = gfortran*
> >> *AR       = ar -r*
> >> *
> >> *
> >> *CPPFLAGS =*
> >> *DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 
> >> -I/home/p254069/fftw322/include*
> >> *FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize 
> >> -march=native -ffree-form $(DFLAGS) *
> >> *LDFLAGS  = $(FCFLAGS)*
> >> *LIBS     = -llapack -lblas -L/home/p254069/fftw322/lib *
> >> *
> >> *
> >> *OBJECTS_ARCHITECTURE = machine_gfortran.o*
> >>  
> >>
> >>
> >> Then i got the following error:
> >>
> >> */usr/bin/ld: warning: libgfortran.so.1, needed by 
> >> /usr/lib/../lib64/liblapack.so, may conflict with libgfortran.so.3*
> >> */home/p254069/cp2k/makefiles/../lib/Linux-x86-64-gfortran/sopt/libcp2k_fft_lib.a(fftw3_lib.o): 
> >> In function `fftw3_create_plan_3d_':*
> >> *fftw3_lib.F:(.text+0x108b): undefined reference to `dfftw_plan_dft_3d_'*
> >> */home/p254069/cp2k/makefiles/../lib/Linux-x86-64-gfortran/sopt/libcp2k_fft_lib.a(fftw3_lib.o): 
> >> In function `fftw33d_':*
> >> *fftw3_lib.F:(.text+0x1183): undefined reference to `dfftw_execute_dft_'*
> >> *fftw3_lib.F:(.text+0x11e1): undefined reference to `dfftw_execute_dft_'*
> >> */home/p254069/cp2k/makefiles/../lib/Linux-x86-64-gfortran/sopt/libcp2k_fft_lib.a(fftw3_lib.o): 
> >> In function `fftw3_create_plan_1dm_':*
> >> *fftw3_lib.F:(.text+0x130f): undefined reference to 
> >> `dfftw_plan_many_dft_'*
> >> */home/p254069/cp2k/makefiles/../lib/Linux-x86-64-gfortran/sopt/libcp2k_fft_lib.a(fftw3_lib.o): 
> >> In function `fftw31dm_':*
> >> *fftw3_lib.F:(.text+0x142f): undefined reference to `dfftw_execute_dft_'*
> >> */home/p254069/cp2k/makefiles/../lib/Linux-x86-64-gfortran/sopt/libcp2k_fft_lib.a(fftw3_lib.o): 
> >> In function `fftw3_destroy_plan_':*
> >> *fftw3_lib.F:(.text+0x13e7): undefined reference to `dfftw_destroy_plan_'
> >> *
> >> */home/p254069/cp2k/makefiles/../lib/Linux-x86-64-gfortran/sopt/libcp2k_fft_lib.a(fftw3_lib.o): 
> >> In function `fftw_export_wisdom_to_file_':*
> >> *fftw3_lib.F:(.text+0x148b): undefined reference to 
> >> `dfftw_export_wisdom_'*
> >> */home/p254069/cp2k/makefiles/../lib/Linux-x86-64-gfortran/sopt/libcp2k_fft_lib.a(fftw3_lib.o): 
> >> In function `fftw_import_wisdom_from_file_':*
> >> *fftw3_lib.F:(.text+0x14b1): undefined reference to 
> >> `dfftw_import_wisdom_'*
> >> *collect2: error: ld returned 1 exit status*
> >> *make[1]: *** 
> >> [/home/p254069/cp2k/makefiles/../exe/Linux-x86-64-gfortran/cp2k.sopt] Error 
> >> 1*
> >> *make[1]: Leaving directory 
> >> `/home/p254069/cp2k/obj/Linux-x86-64-gfortran/sopt'*
> >> *make: *** [build] Error 2*
> >>
> >> I tried to use different versions of fftw, but it didn't work.
> >> I have search the entire mailing list, and i couldn't find the specific 
> >> solutions.
> >> Please let me know if there are something wrong in 
> >> my Linux-x86-64-gfortran.sopt file.
> >> Thanks so much for the suggestion.
> >>
> >> Best,
> >>
> >> Chungwen

Regards,
Dominik

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