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Erschienen in:
2018 | OriginalPaper | Buchkapitel
Benchmarking Molecular Dynamics with OpenCL on Many-Core Architectures
verfasst von : Rene Halver, Wilhelm Homberg, Godehard Sutmann
Erschienen in: Parallel Processing and Applied Mathematics
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Abstract
Molecular Dynamics (MD) is a widely used tool for simulations of particle systems with pair-wise interactions. Since large scale MD simulations are very demanding in computation time, parallelisation is an important factor. As in the current HPC environment different heterogeneous computing architectures are emerging, a benchmark tool for a representative number of these architectures is desirable. OpenCL as a platform-overarching standard provides the capabilities for such a benchmark. This paper describes the implementation of an OpenCL MD benchmark code and discusses the results achieved on different types of computing hardware.