That is really great..Thanks for all the work on this! Cheers, Davide
On 21/01/13 9:09 AM, "Mark Abraham" <[email protected]> wrote: >Hi GROMACS users, > >The day is finally here - GROMACS 4.6 is out! > >As you've probably heard by now, there are lots of wonderful new >performance features, including >* a native GPU implementation layer - thanks to some heroic work from >Szilard Pall and Berk Hess, with special thanks to Mark Berger & Duncan >Poole from NVIDIA for their excellent advice and support >* new implementation of Verlet kernels with guaranteed buffered >interactions, with very good energy conservation >* brand new classical nonbonded interaction kernels, supporting any of >SSE2, SSE4.1, AMD's 128-bit AVX with FMA support, or Intel's 256-bit AVX >SIMD acceleration, for 30-50% faster performance >* use of OpenMP for better intra-node scaling >* much improved automatic load balancing, including between direct-space >and PME nodes >* improvements to integration algorithms, including lots of new free >energy >options > >You can find the code, release notes, installation instructions and test >suite at the links below. > >ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz >http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_4.6.x >http://www.gromacs.org/Documentation/Installation_Instructions >http://gromacs.googlecode.com/files/regressiontests-4.6.tar.gz > >If you have downloaded a 4.6 tarball already, we encourage you to get the >latest one - a last-minute bug fix forced us to change plans. > >PDF installation instructions, and an updated manual release will follow >in >the coming week. > >A 4.5.6 bug-fix release has been prepared, and all its fixes are present >in >4.6. We're still preparing its release notes, and will announce the >release >shortly. > >For those of you using our git repository, please be advised that that >last-minute bug fix required us to move the tag for the 4.6 release. Your >repo will not change that for you automatically. > >Happy simulating! > >The GROMACS development team >-- >gmx-users mailing list [email protected] >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 [email protected]. >* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
