TY - GEN
T1 - AutoPas
T2 - 33rd IEEE International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019
AU - Gratl, Fabio Alexander
AU - Seckler, Steffen
AU - Tchipev, Nikola
AU - Bungartz, Hans Joachim
AU - Neumann, Philipp
N1 - Publisher Copyright:
© 2019 IEEE.
PY - 2019/5
Y1 - 2019/5
N2 - The C++ library AutoPas aims at delivering optimal node-level performance for particle simulations. This paper describes the internally implemented algorithms, and how the library uses auto-tuning to dynamically select their optimal combination at run-time. Results are presented, which show that all available algorithms and configuration options have their specific advantages. To demonstrate the library's capabilities in relevant application settings, it has been integrated into the software package ls1 mardyn. An example of a realistic molecular dynamics simulation from thermodynamics is shown in which AutoPas detects a change in the best possible algorithm configuration. It adapts the simulation algorithm accordingly, sustaining optimal performance without additional user input.
AB - The C++ library AutoPas aims at delivering optimal node-level performance for particle simulations. This paper describes the internally implemented algorithms, and how the library uses auto-tuning to dynamically select their optimal combination at run-time. Results are presented, which show that all available algorithms and configuration options have their specific advantages. To demonstrate the library's capabilities in relevant application settings, it has been integrated into the software package ls1 mardyn. An example of a realistic molecular dynamics simulation from thermodynamics is shown in which AutoPas detects a change in the best possible algorithm configuration. It adapts the simulation algorithm accordingly, sustaining optimal performance without additional user input.
KW - Auto-Tuning
KW - Automatic Algorithm Selection
KW - Dynamic Tuning
KW - HPC
KW - Molecular Dynamics
UR - https://www.scopus.com/pages/publications/85070391425
U2 - 10.1109/IPDPSW.2019.00125
DO - 10.1109/IPDPSW.2019.00125
M3 - Conference contribution
AN - SCOPUS:85070391425
T3 - Proceedings - 2019 IEEE 33rd International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019
SP - 748
EP - 757
BT - Proceedings - 2019 IEEE 33rd International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2019
PB - Institute of Electrical and Electronics Engineers Inc.
Y2 - 20 May 2019 through 24 May 2019
ER -