> Thank you for the reply. I have some more queries: > So if I load Gromacs 3.3.1 on Octane will I gain on the time a bit ?
Maybe... depends if there were any meaningful speed-ups in parts of the code you actually use. > Do you suggest me to update the Gromacs versions on both the systems to > Gromacs 3.3.1? Yes. > For this do I have to remove the older versions ? Will it over write. > Can I keep both the versions loaded on the system or will there be a > clash ? Save yourself some heartache and uninstall the old ones before installing the new ones. > Do I have to load fftw once again ? You can probably use the same fftw libraries, but you no longer need parallel ones for 3.3.1. Mark _______________________________________________ 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
