Re: [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  wrote:

> On Wed, Feb 6, 2013 at 6:05 PM, jeela keel  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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[gmx-users] Re: gromacs-4.6.tar.gz installation question

[jeela keel]

Thank you for your respond but I did not get the respond to my email, I
found the answer on-line. I don't know why I am not receiving any email
back from the mailing list.

Thank you

Jeela

On Mon, Feb 4, 2013 at 12:30 PM, jeela keel  wrote:

> *Dear All,
>
> I am trying to install gromacs, I dowloaded 
> **gromacs-4.6.tar.gz<ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz>and 
> following the instruction in the following website
> http://www.gromacs.org/Documentation/Installation_Instructions#4._Doing_a_build_of_GROMACS
>
> I read the instraction but I am still kind of confused. Do I need to
> download both FFTW and CMake or just choose one of them for the gromacs
> installation?
> Also can I use FTTW 
> **fftw-2.1.5.tar.gz<ftp://ftp.fftw.org/pub/fftw/fftw-2.1.5.tar.gz>instead of
> **fftw-3.3.3.tar.gz <ftp://ftp.fftw.org/pub/fftw/fftw-3.3.3.tar.gz>becuase I 
> also want to download Lammps in my computer that can only use
> fftw 2.1.5
>
> Thank you fro your help
>
> Jeela
>
>
>
> *
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