[gmx-users] Are Gromacs 3.2.1 and FFTW 3.0.1 compatible?

Joao Renato Carvalho Muniz jrcmuniz at if.sc.usp.br
Fri Nov 19 10:34:05 CET 2004

Hi gromacs users!

I'm brand new user (or trying to be one) of gromacs!

Sorry about this stupid question! but I'm getting an error when I'm 
trying to compile (configure) gromacs 3.2.1:

 > 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.

The problem is that I've already configured and compiled fftw 3.0.1 with 
and without the --enable-float option, so I think I have both single and 
double precison!

Could anyone please tell me what I've to do?

Thank you very much for your time and consideration!

Joao Renato.

Joao Renato Carvalho Muniz       < e-mail: jrcmuniz at if.sc.usp.br >
Laboratorio de Cristalografia de Proteinas e Biologia Estrutural e
Centro de Biotecnologia Molecular Estrutural - CEPID/FAPESP
Instituto de Fisica de Sao Carlos
Universidade de Sao Paulo
Av. do Trabalhador Saocarlense, 400
Centro - Caixa Postal 369     
13560-970  -  Sao Carlos  -  SP
Phone: ++55 16 3373.9868
FAX:   ++55 16 3373.9881

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