The simulation speed of ACEMD3 (version 3.1.0) was benchmarked with two systems at typical production conditions on different GPU devices. The GPU devices were mounted in Metrocubo machines and were operating under sustained load. The speed is measured in ns/day.
|NVIDIA GeForce GTX 1080||AMBER||504||7.02|
|NVIDIA GeForce GTX 1080 Ti||AMBER||690||10.2|
|NVIDIA Titan V||AMBER||761||18.5|
|NVIDIA GeForce RTX 2080 Ti||AMBER||930||16.3|
The input files can be found in
$CONDA_PREFIX/share/acemd3 after installing ACEMD3.