On Thu, Dec 6, 2012 at 9:42 PM, Yorquant Wang <wangy...@gmail.com> wrote:
> 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. > Yes AVX is supported. But you won't see a 2x speedup. Roland > > 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 > > > > > -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 865-241-1537, ORNL PO BOX 2008 MS6309 -- 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