Enable update groups

[alexxy/gromacs.git] / docs / release-notes / performance.rst

diff --git a/docs/release-notes/performance.rst b/docs/release-notes/performance.rst
index 3bbff7ba1a80c3ef5fa72cd352497a2a80b521c8..fb5e87151d859bc6155c0ce943a49075b1e384a5 100644 (file)
--- a/docs/release-notes/performance.rst
+++ b/docs/release-notes/performance.rst
@@ -1,6 +1,15 @@
 Performance improvements
 ^^^^^^^^^^^^^^^^^^^^^^^^
 
+Implemented update groups
+"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
+Domain decomposition can now be based on so-called update groups. These
+are groups of atoms with dependencies during the update, which can be
+constraints and virtual sites. Update groups can typically be used when
+only bonds involving hydrogens are constrained and are enabled
+automatically when possible. This improves performance by eliminating
+MPI and OpenMP communication for constraints and virtual sites.
+
 PME on GPU when running free energy perturbations not involving charges
 """"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
 PME can now be run on a GPU when doing free energy perturbations