Compilation Problem

[Chungwen Liang]

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

Chungwen

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
>>
>
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