[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
lines.
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 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
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 the CPPFLAGS
and LDFLAGS environment variables before running
configure.
That is also necessary to do if your compiler doesn't
search
/usr/local/include and /usr/local/lib by default.
You can find information at www.gromacs.org, or in the
INSTALL file.
With regards,
nagaraju
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