Compilation Problem

[DEC014]

*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
>
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