[gmx-users] configure gromacs 4.6

[jeela keel]

Hi All,

Thank you for the help. But I am not sure how to use cmake??  Do I need to
make  a new directory something like the following, or just in the gromacs
directory?

mkdir cmake
cd cmake

cmake -DCMAKE_PREFIX_PATH=/home/jeela/local/gromacs-4.6
--program-suffix=-4.6 --with-fft=fftw3

Thank you and kind regards.

Jeela


On Wed, Feb 6, 2013 at 4:01 PM, Roland Schulz <roland at utk.edu> wrote:

> On Wed, Feb 6, 2013 at 6:05 PM, jeela keel <jeela22 at gmail.com> wrote:
>
> > cmake .. -DGMX_BUILD_OWN_FFTW=ON
> >
>
> Because you already build fftw yourself you don't need GMX_BUILD_OWN_FFTW.
> The option means that gromacs builds fftw for you. Instead simply specify
> where you installed fftw with CMAKE_PREFIX_PATH
>
> Roland
> --
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