Previous talks at the SCCS Colloquium

Daniel Asch: Auto-Tuning Verlet List Skin Lenghts in AutoPas

SCCS Colloquium |


In molecular dynamics reducing the computation time is crucial for the simulation of large environments within reasonable time. For this purpose different algorithmic configurations can be used, with parameters that can be further adjusted to the environment. This is not easy to do manually and the optimal setup can change during the simulation. A solution to these issues is AutoPas, which automatically tunes the configuration. In this work, tuning over the rebuild frequency of the Verlet Lists-based configurations offered by AutoPas is investigated. The results show how this parameter affects the runtime in different scenarios and what the advantage is to use variable rebuild frequencies tuned by AutoPas.

Bachelor's thesis presentation. Daniel is advised by Prof. Hans-Joachim Bungartz and Samuel Newcome.