Hi Mark: There is a new instruction set architecture (*Advanced Vector Extensions * (AVX)) that can make float calculation in Intel CPU faster two times compared with the old instruction set. I want to know if the Gromacs developers have a plan to make GMX support AVX. if the GMX can support GMX, I think maybe two times speed-up in GMX will be gotten immediately.
Best Yukun Wang PhD candidate Institute of Natural Sciences && College of Life Science, Shanghai Jiao Tong University Cell phone: 13621806236. China Shanghai 2012/12/7 Mark Abraham <mark.j.abra...@gmail.com> > Hi all, > > We've updated the GROMACS beta version to fix some bugs both you and we > found. We've also added the Adaptive resolution scheme (adResS) to our list > of new features (though we still have yet to publish a complete list of > those!). adResS couples two systems with different resolutions by a force > interpolation, which can be used to speed-up atomistic simulations. The new > source package can be found at > ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6-beta2.tar.gz. Installation > instructions still here > http://www.gromacs.org/Documentation/Installation_Instructions > > Please try it out, particularly if you haven't done so already! Also, if > everything is smooth sailing, please drop us a line on gmx-users just to > say that. We can't tell whether silence is "worked great, nothing to say" > or "haven't tried it yet". That will help us judge when things are stable > enough to make a real release! > > Speaking of that, we are keen to make that final release soon. While we > can't pick a date yet, we promise that if you give us feedback by December > 21, then we will make a sincere effort to incorporate the results of that > feedback in the final release. In particular, if it's an issue on our > Redmine bug report database http://redmine.gromacs.org, then it will be > sure to get our attention and consideration. You'll need to register an > account to make a bug report (so that we can get back to you), but that's > free and easy. > > We hope to release a current version of our regression test suite next > week, and a benchmark set soon. > > Cheers, > > Mark Abraham > GROMACS development manager > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Yukun Wang PhD candidate Institute of Natural Sciences && College of Life Science, Shanghai Jiao Tong University Cell phone: 13621806236. China Shanghai -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists