Dear Mark, Thank you for all of your efforts. I wish you added an option for applying external magnetic field in this version. Thanks Ali
On Mon, Dec 11, 2017 at 8:54 PM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi GROMACS users, > > The second beta release of GROMACS 2018 is available! (We know it's only > 2017 right now, but by the time we make the real release it will be almost > 2018, so that seems like a good idea!) > > We are making this available to you to get an early taste of how GROMACS > 2018 will look and work, and most importantly to get feedback from you > about how well things work. While we try our hardest to keep the quality of > GROMACS as high as possible, we’re human, we overlook things while doing > other things, and we need your many pairs of eyes to help build a tool that > we can all use to do good science! We really need you to test your kinds of > simulation on your hardware, both for correctness and performance. This is > particularly important if you are using "interesting" hardware or > compilers, because we can't test all of them! > > We've fixed a number of minor issues that users and developers identified - > please do try out the new version to see if you agree that things have been > fixed where we think they have. No major issues have been identified, which > is very good news. See the release notes for details. > > Please do not use this version for doing science you plan to publish - it > needs more testing before it’s reliable enough for that. Similarly, please > don’t use this version as a base for a project that bundles or forks > GROMACS. > > What new things can you expect? (See the release notes for more details.) > * support for PME running on a GPU > * improvements for performance of the short-ranged scheme, particularly on > GPUs, through optimizing the pair-list handling > * support for the AWH adaptive biasing scheme > * new simulation quality checks on physical properties of the integrator > * CPU-side enhancements from adding some or better SIMD support to several > computations > * more reporting of conserved quantities for integrators > > Just so you know, a fair bit of the work done since 2016 has been > re-organizational, rather than new features or faster performance. > > There’s lots of other new things, and a few old things removed - please see > the link to the release notes. All the content of GROMACS 2016.4 (plus > several yet-to-be-released bug fixes) is present, apart from features that > have been removed. > > If all goes to plan, we hope to ship the final 2018 release in time for the > New Year, but that relies on people joining in and helping us test! We hope > you will consider making that contribution, so that we can continue to > deliver high-quality free simulation software that will be useful to you on > January 1. > > You can find the code, manual, release notes, installation instructions and > testsuite at the links below. > > Code: ftp://ftp.gromacs.org/pub/gromacs/gromacs-2018-beta2.tar.gz > Documentation: http://manual.gromacs.org/documentation/2018-beta2/ > index.html > (includes install guide, user guide, reference manual) > Release Notes: > http://manual.gromacs.org/documentation/2018-beta2/ReleaseNotes/index.html > Test Suite: > http://gerrit.gromacs.org/download/regressiontests-2018-beta2.tar.gz > > Happy testing! > > Mark Abraham > GROMACS Development Manager > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/ > Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
