[gmx-users] Query to display Gromacs compile time settings?

[Stéphane Téletchéa]

Michael John Hanby a écrit :
> Howdy,
> 
>  
> 
> I’m a sysadmin tasked with installing Gromacs on some of our clusters.
> 
>  
> 
> Is there any way I can query an existing Gromacs install to see what 
> options were enabled at compile time? (sort of like laminfo for LAM)?
> 
Not sure if it help you a lot, but i've made two little scripts for 
setting up FFTW and gromacs (see the attached file).

You have only to define path of tarballs, temporary compilations path 
and destination path (on both scripts) and you'll get all parameters set.

This will ensure you'll get allways the same compilation flags (and 
should be optimal for a Linux-based cluster environment)

Cheers,
Stéphane

-- 
Stéphane Téletchéa, PhD.                  http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert                  Tél : (33) 134 652 891
78352 Jouy-en-Josas cedex, France         Fax : (33) 134 652 901
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