[gmx-users] installation of gromacs

[Mark Abraham]

On 17/03/11, Thomas Koller  <koller-thomas at gmx.de> wrote:
> Now I get this again:
> 
> checking for fftw3.h... configure: error: Cannot find the default external FFT library (fftw3).
> 

> 
> 
> Please follow my way:
> 
> i) I unpacke fftw and gromacs to two folders.
> iii) I go the the fftw folder and make:
>     - ./configure --prefix=$HOME/local/fftw3 --enable-sse --enable-shared   --enable-float
> 

You've installed in /home/local/fftw3...

> 
>     - make -j
>     - make install
>     - export CPPFLAGS="-I/home/local/fftw/include"
>     - export LDFLAGS="-L/home/local/fftw/lib"
> 

... but told configure later to look in /home/local/fftw

That doesn't work.

Even when it does, it's likely that you'll still need to look at the last few hundred lines of config.log to actually diagnose the problem...

Mark

> 
> 
> iii) Then I go (cd) to the folder gromacs-4.0.7
>     - ./configure --prefix=$HOME/local/gromacs
>     - Now I get the error writen above.
> 
> Is my way wrong, do I have to insert the fftw folder into the gromacs folder, is the sequence wrong?
> 
> I wish I can have access soon. :(
> 
> Thomas
> 
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