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Document type:
Konferenzbeitrag
Contribution type:
Vortrag / Präsentation
Author(s):
Gratl, Fabio Alexander
Title:
Optimizing Molecular Dynamics Simulations with Dynamic Auto-Tuning
Abstract:
Molecular Dynamics simulations are highly diverse by nature and require different optimization strategies depending on the scenario. For example, the simulation of a homogeneous gas poses different challenges than droplets. To make matters worse this optimum can change over the course of a simulation if said gas begins to form droplets. To tackle this challenge we published the C++ library project AutoPas, which acts as a node-level performance library for arbitrary N-Body simulations. It imp...     »
Keywords:
HPC; Molecular Dynamics; Auto-Tuning; Automatic Algorithm Selection; Dynamic Tuning
Book / Congress title:
SIAM Conference on Parallel Processing for Scientific Computing 2020
Publisher:
SIAM
Date of publication:
13.02.2020
Year:
2020
Quarter:
1. Quartal
Year / month:
2020-02
Month:
Feb
Language:
en
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