[gmx-users] mdrun_make_hole installation

Ansgar Esztermann aeszter at gwdg.de
Fri Jul 31 11:50:41 CEST 2009

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.



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

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