[gmx-users] Problem in installing gromacs in sgi irix6.5

naga raju nagaraju_cy at yahoo.co.in
Mon Oct 3 15:42:56 CEST 2005

Dear gmx users,
                I am trying to install gromacs 3.2.1
in SGI fuel(IRIX6.5). I downloaded fftw-2.1.5 and
installed. While installing gromacs-3.2.1, i got the
following error message(this error message came while
executing ./configure command). Here I gave last few
checking how to hardcode library paths into
programs... immediate
checking whether stripping libraries is possible... no
checking dynamic linker characteristics... irix6.5
checking whether ln -s works... yes
checking for special C compiler options needed for
large files... no
checking for _FILE_OFFSET_BITS value needed for large
files... no
checking for _LARGE_FILES value needed for large
files... no
checking for _LARGEFILE_SOURCE value needed for large
files... no
checking for fseeko... yes
checking for sqrt in -lm... yes
checking for sfftw.h... no
checking for fftw.h... no
configure: error: Cannot find any single precision
sfftw.h or fftw.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
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
and LDFLAGS environment variables before running
That is also necessary to do if your compiler doesn't
/usr/local/include and /usr/local/lib by default.
You can find information at www.gromacs.org, or in the

       With regards,

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