On Jul 30, 2009, at 12:08 , Moutusi Manna wrote:

Dear Ansgar Esztermann,
Thanks for your reply. I have source .bashrc after adding the environment variables as follows......
 "source .bashrc" and then run
./configure --enable-float --prefix=/home/cm/install --program- suffix=_h
The same problem arise again.

OK, I did not spot the real error the first time, but here it is (quoting from your original mail):

after that the files generated in /home/cm/install/fftw-3.2.1/ include are.....
fftw3.f  fftw3.h

And then the configure script says:

checking for sfftw.h... no
checking for fftw.h... no
configure: error: Cannot find any single precision sfftw.h or fftw.h

... it cannot find fftw.h because the header is called fftw3.h. Looking through git/CVS history, fftw3 seems to be supported by gromacs only from v3.3 on. You should install fftw2 instead.


Regards,

A.

--
Ansgar Esztermann
DV-Systemadministration
Max-Planck-Institut für biophysikalische Chemie, Abteilung 105

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