On Mon, May 28, 2012, Yubo Fan wrote:
> Configuring NetCDF (may be time-consuming)...
>
> Error: NetCDF configure returned 1
> NetCDF configure failed! Check the netcdf_config.log file
> in the /gpfs-biou/yf4/chem/amber12/AmberTools/src directory.
> Continuing anyway, but NetCDF will be skipped.
>
> Checking for zlib: OK
>
> Checking for libbz2: OK
>
> Configuring fftw-3.3 (may be time-consuming)...
>
> Error: FFTW configure returned 77
> FFTW configure failed! Check the fftw3_config.log file
> in the /gpfs-biou/yf4/chem/amber12/AmberTools/src diretory.
> Configure failed due to the errors above!
>
> I can successfully compile netcdf and fftw individually. Can I avoid
> the test of fftw and netcdf in configure? Or there is a better way?
You can edit the configure2 script (in AMBERHOME/AmberTools/src) to skip the
fftw configure step. Then you will need to edit the resulting config.h file
to point to the compilers you want to use, and adjust any other defines to
match your system.
It might be worth trying this first: send the -nofftw3 and -nomdgx flags to
configure; that should eliminate problems with fftw, and you can compile most
things (perhaps still be hand-editing config.h to point to the desired
compilers). Then you can re-visit the fftw part later.
....dac
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Received on Tue May 29 2012 - 05:00:02 PDT
