[gmx-users] configure problem in SGI

[David van der Spoel]

raja wrote:
> Dear gmxions,
> I tried to compile gromacs in SGI IRIX6.5. I followed configuring and
> installing of fftw, both single and double precision as per gromacs
> website. When I tried to configure gromacs...it says.." Cannot find any
> single precision fftw.h or sfftw.h". I also checked the
> "/usr/local/include/". The folder contains 2 files "fftw3.f" and
> "fftw3.h". More I had the experince of compiling under cygwin. So I did
> crosscheck for files under  folder in cygwin (/usr/local/include/ )
> found exactly same files there too as "fftw3.f" and "fftw3.h". But the
> configuration of gromacs worked in cygwin without any error, otherhand
> why it fails in SGI ? Please help me out !
Maybe you explicitly have to add /usr/local/include to the CPPFLAGS 
environment variable.

Do you have the corresponding libraries in /usr/local/lib?

> 
> I also pasted detailed error output while configuring gromacs in SGI.
> ###############################################################################
> checking how to hardcode library paths into programs... immediate
> checking whether stripping libraries is possible... no
> checking dynamic linker characteristics... irix6.5 ld.so
> checking whether ln -s works... yes
> checking for sqrt in -lm... yes
> checking for fftw.h... no
> checking for sfftw.h... no
> configure: error: Cannot find any single precision fftw.h or sfftw.h
> Do you have single precision FFTW installed? If you are using packages,
> note that you also need fftw-devel to compile GROMACS. You can find the
> software at www.fftw.org, and detailed instructions at www.gromacs.org.
> If you compiled FFTW yourself:
> Note that the default FFTW setup is double precision. Change the FFTW
> configuration to single with --enable-float. If you want MPI support,
> use --enable-mpi. It is a good idea to install both single & double.
> If your sysadm doesn't want to install it you can do it to a location
> in your home directory and provide the correct paths in ......
> ###################################################################################
> 
> With thanks !
> B.Nataraj


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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