[gmx-users] Compilation problem on sgi irix 6.5
zoon at science.uva.nl
Wed Apr 28 14:48:01 CEST 2004
did you install fftw with --enable-float?
And is it in the default directory searched by gromacs?
by deault its installed with double precision and gromacs needs
See installation tips on www.gromacs.org.
>when I try to configure gromacs on a sgi irix 6.5 mashine I get the
>following error message:
>checking for sfftw.h... yes
>checking for fftw.h... yes
>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.
>Somehow gromacs does not find sfftw.h or fftw.h, but they are in the
>right directories, and I configured fftw with single precision as
>suggested above. I also added to the configure script:
>Has anyone an idea what I should do?
>I am really in need of help!
>Thanks in advance,
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