Michael John Hanby a écrit :
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).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)?
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
compil_fftw_64bits.sh
Description: application/shellscript
compil_gromacs_64bits.sh
Description: application/shellscript
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