Figure 1:

Performance of Amber18 relative to Amber16 seen on multiple GPU architectures. Performance is given in a particle-normalized metric which emphasizes the number of inter actions that each card is able to compute in a given time. Performance in Amber16 is shown in solid color bars, and improvements with Amber18 in black outlined extensions. In a few cases, performance in Amber18 is lower than in Amber16, indicated by the extensions falling to the left of the y-axis. (Beta tests of an upcoming patch make Amber18 even faster, and consistently superior to Amber16.) System, ensemble, and time step are displayed on the right, while the system size (thousands of atoms) is given on the left. All systems were run with an 8 Å cutoff for real-space interactions and other default Amber parameters.