[gmx-users] Compilation problem on sgi irix 6.5

herbst at fhi-berlin.mpg.de herbst at fhi-berlin.mpg.de
Fri Apr 30 14:04:01 CEST 2004

yes, I did install with --enable-float and gromacs searches the right
As you can see in the error message, gromacs finds everything when
checking for it:
checking for sfftw.h... yes
checking for fftw.h... yes
but still gives an error afterwards.
Do you have any idea what I could do?

> 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
> single precision.
> See installation tips on www.gromacs.org.
> Cheers
> Peter
>>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,
>>gmx-users mailing list
>>gmx-users at gromacs.org
>>Please don't post (un)subscribe requests to the list. Use the
>>www interface or send it to gmx-users-request at gromacs.org.
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