[gmx-users] problem on Gromacs 4.5.7 installation

[Mark Abraham]

Hi,

On Sun, 30 Jul 2017 20:35 Rahma Dahmani <rahma.dahmani at fst.utm.tn> wrote:

> Dear gmx-users,
> I am trying to install Gromacs 4.5.7


There's essentially no reason to install a version that has been
unsupported for over three years. Do yourself a favour and use a code
version that has had hundreds of bugs fixed since then, and runs faster on
the newer hardware.

and i choose to run it with cmake
> 3.9.0 and fftw 3.3.6
> i succeeded to install cmake files but i have a problem with fftw
> installtion: its a 'make install' problem:
>
> make[3]: *** [install-includeHEADERS] Erreur 1
> make[3]: quittant le répertoire «
> /home/rahma/Bureau/simulation_dynamique/fftw-3.3.6-pl2/api
> »
> make[2]: *** [install-am] Erreur 2
> make[2]: quittant le répertoire «
> /home/rahma/Bureau/simulation_dynamique/fftw-3.3.6-pl2/api
> »
> make[1]: *** [install] Erreur 2
> make[1]: quittant le répertoire «
> /home/rahma/Bureau/simulation_dynamique/fftw-3.3.6-pl2/api
> »
> make: *** [install-recursive] Erreur 1
>
> I am wondering if there is a special version of fftw to run it with gromacs
> 4.5.7 ?
>

There's no diagnostic information here. Among the many benefits of newer
GROMACS versions is that it will download and build with fftw automatically
for you.

Mark


Thank you
>
>
> --
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>
>
>
>
>
> *Rahma Dahmani Doctorante en CHIMIE Unité de Recherche: Physico-Chimie des
> Matériaux à l'état condensé, Laboratoire de Chimie Théorique et
> Spectroscopie MoléculaireUniversité de Tunis El Manar, Faculté des Sciences
> de Tunis Campus Universitaire Farhat Hached - BP n ° 94 - Rommana 1068,
> Tunisie Tél: (+216) 28151042*
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