[gmx-users] gromacs double precision installation

Choon Peng cpchng at bii.a-star.edu.sg
Mon Jul 26 13:53:22 CEST 2004


Hi,

  I think Pankaj must have compiled using --disable-float, else
dfftw.h won't be created.
Probably something wrong with the libraries (static vs dynamic?)
or Gromacs can find location to header files but not the libraries,
say use of "-I/usr/local/fftw/lib" instead of "-L/usr/local/fftw/lib" for
the FFTw library path.


cheers,
choon peng

On Mon, 26 Jul 2004, Paul van Maaren wrote:

> +++ Pankaj Kumar JRF [Mon, Jul 26, 2004 at 03:23:03PM +0630]:
> >
> > I trying to install gromacs that supports double precision.
> >
> > I have installed fftw as ./configure --enable-type-prefix
> >
> > Now when I am trying to install gromacs
> >
> > ./confiure --disable-float
>
> Try this: ./configure --disable-float --enable-type-prefix
>
> --
> Groeten,
>
> Paul
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