[CP2K:1160] Unknown FFT library: FFTW3

Teodoro Laino teodor... at gmail.com
Thu Jul 10 14:27:02 CEST 2008


Ciao Yudong,

this looks like a miscompiling problem of pgi.. which version are you  
using?

6.2.5 should work.. no luck to have the 7.X working.. but I didn't  
check the very last versions of the 7 series..
so maybe one of the very last is again fully functional (i.e. less  
bugged than the first 7.X versions) ..

Teo

On 10 Jul 2008, at 14:06, Yudong Sun wrote:

>
> Hi,
>
> I have compiled cp2k on Cray XT4 using pgi. The compilation has
> completed. However the execution job fails with the following error:
>
>   *
>   *** ERROR in init_fft  ***
>   *
>
>   *** Unknown FFT library:                                     
> FFTW3  ***
>
> My makefile is based on Linux-x86-64-pgi.popt with some modifications:
>
> CC       = cc
> CPP      = cpp
> FC       = ftn -Mfree
> LD       = ftn
> AR       = ar -r
> FFTW_INC = /opt/fftw/fftw/cnos/include
> DFLAGS   = -D__PGI -D__FFTSG \
>             -D__parallel -D__BLACS -D__SCALAPACK \
>             -D__FFTW3
> CPPFLAGS = -traditional -C $(DFLAGS) -P -I$(FFTW_INC)
> FCFLAGS  = -fastsse -tp amd64 -I$(FFTW_INC)
> LDFLAGS  = $(FCFLAGS)
> LIBS     = -lacml -lsci -lfftw3
>
> OBJECTS_ARCHITECTURE = machine_pgi.o
>
>
> I have loaded fftw/3.1.1 module into my environment. Any idea about  
> how
> to fix the problem?
>
> Thanks,
>
> Yudong
>
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