[gmx-users] problem in installation of gromacs

geeta at cdfd.org.in geeta at cdfd.org.in
Wed Apr 16 08:57:01 CEST 2003

hello gromacs users,
I am a new member.I am facing a problem while installing gromacs.
please help me.

I want to install gromacs in solaris.
First i downloaded fftw-3.0-beta3.tar and did the following

./configure --enable-float
evrything went on well and iwas able to install fftw in default
/usr/local/include directory.

Then i downloaded gromacs-3.1.4.tar and when i say
./configure i am getting the following error

checking for _FILE_OFFSET_BITS value needed for large files... 64
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... 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.
You can find information at www.gromacs.org, or in the INSTALL file.

The error messages say fftw.h as yes and again asking for it.
i setenv the variables to corresponding directories before
doing ./configure.
please help me.waiting for ur answers.

thanks and regds

Geetha Thanu
Center for DNA Finger Printing and Diagnostics (CDFD)
Nacharam, Hyderabad - 500076
Phone:+91-40-7151344 Ext1208
Fax: +91-40-7155479


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