[CPMD-list] Compiling cpmd2cube on BG/L

[Matteo Guglielmi]

Axel Kohlmeyer wrote:
> On Mon, 23 Apr 2007, Matteo Guglielmi wrote:
>
> matteo,
>
> MG> >
> MG> >   
> MG> Do I have to download & compile them in my home?
>
> if fftw-2 is not installed on the frontend in 
> a usable form, yes.
>
> in theory you can also compile cpmd2cube with FFT_DEFAULT,
> but then you have to force your jobs to use grids that
> are compatible with FFT_DEFAULT. the default fft supports
> only roots 2, 3, and 5 whereas FFTW also supports 7 and 11
> (which makes it occasionally quite a bit faster, since you
> can get away with up to 20% less grid points).
>
> ciao,
>    axel.
>
>
> p.s.: please keep cpmd-list in the cc, so that people
> can follow up on this and get the resolution of the
> problem when they search the mailing list archives. thanks.
>
>
> MG> 
> MG> - 
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> MG> | Address:    Matteo Guglielmi                             |
> MG> |             EPFL-SB-ISIC-LCBC      Ecole Polytechnique   |
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> MG> 
>
>   
I did compile them in my home in this way:

./configure --enable-type-prefix --prefix=/home/guglielm/Library/fftw-2.1.5


#--------------- Configuration
FC      = xlf90 -O3 -qstrict  -qarch=auto -qxlf77=leadzero
FFLAGS  = -WF,"-D__PWRLinux,-DFFT_FFTW" -qsuffix=cpp=F -qmaxmem=32768
LFLAGS  = -O3
LIBS    = -lfftw
LIBS    = -L/home/guglielm/Library/fftw-2.1.5/lib -ldfftw
# uncomment and set only if needed
#CC     = cc
#CFLAGS =
#--------------- End of Configuration


but when I compile cpmd2cube I get:

** dscal   === End of Compilation 6 ===
1501-510  Compilation successful for file fftsg.F.
xlf90 -O3 -qstrict  -qarch=auto -qxlf77=leadzero  -o cpmd2cube.x -O3 
kinds.o periodic_table.o util.o grids.o cpmd2cube.o main.o grid_types.o
atom_types.o readwrites.o fftsg_lib.o fft_tools.o fftsg.o
-L/home/guglielm/Library/fftw-2.1.5/lib -ldfftw
fft_tools.o(.text+0x404): In function `__fft_tools_NMOD_fft3d':
: undefined reference to `fftw3d_f77_create_plan'
fft_tools.o(.text+0x428): In function `__fft_tools_NMOD_fft3d':
: undefined reference to `fftw3d_f77_create_plan'
fft_tools.o(.text+0x444): In function `__fft_tools_NMOD_fft3d':
: undefined reference to `fftwnd_f77_one'
fft_tools.o(.text+0x78c): In function `__fft_tools_NMOD_fft3d':
: undefined reference to `fftwnd_f77_one'
make: *** [cpmd2cube.x] Error 1


Thanks,
MG.