[gmx-users] Installation of Gromacs in Alpha Tru64 unix

geeta at cdfd.org.in geeta at cdfd.org.in
Thu Jun 26 13:53:01 CEST 2003

Hello all,

I tried installing Gromacs and it asked for fftw header file.I installed 
that also and set the environment flags and it says that 
checking for fftw...yes ,but again giving problem.Any help is appreciated.I 
am pasting the error file. 

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.

thanks in advance

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



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