4 |Gromacs| 2019 was released on INSERT DATE HERE. Patch releases may
5 have been made since then, please use the updated versions! Here are
6 some highlights of what you can expect, along with more detail in the
9 As always, we've got several useful performance improvements, with or
10 without GPUs, all enabled and automated by default. We are extremely
11 interested in your feedback on how well this worked on your
12 simulations and hardware. They are:
14 * Simulations now automatically run using update groups of atoms whose
15 coordinate updates have only intra-group dependencies. These can
16 include both constraints and virtual sites. This improves performance
17 by eliminating overheads during the update, at no cost.
18 * Intel integrated GPUs are now supported with OpenCL.
19 * PME long-ranged interactions can now also run on a single GPU using
20 OpenCL, which means many fewer CPU cores are needed for good
21 performance with such hardware.