Thanks for the scripts, if you don't mind, I'm going to modify them for my clusters and use them as opposed to continuing the non scripted approach :-)
Thanks -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Stéphane Téletchéa Sent: Friday, December 15, 2006 12:36 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Query to display Gromacs compile time settings? 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
