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Document type:
Konferenzbeitrag 
Contribution type:
Vortrag / Präsentation 
Author(s):
Fabio Alexander Gratl; Steffen Seckler; Philipp Neumann; Hans-Joachim Bungartz 
Title:
Leveraging Node-level Performance for Molecular Dynamics Through Auto-tuning 
Abstract:
Total time to solution in molecular dynamics (MD) simulations is highly sensitive to simulation parameters, including material as well as algorithmic settings. For example, there exist multiple data storage concepts and traversal algorithms, which show advantages in different scenarios. Besides, MD settings can change over the course of the simulation, for example, the homogeneity of the particle distribution. The library AutoPas is an easy to use foundation for building arbitrary N-body si...    »
 
Keywords:
Molecular Dynamics; Auto-Tuning 
Book / Congress title:
SIAM CSE 
Congress (additional information):
MS319 Efficient Computational Methods for Molecular Dynamics 
Year:
2019 
Month:
Feb