%0 Conference Paper
%A Halver, Rene
%A Homberg, Wilhelm
%A Sutmann, Godehard
%T Benchmarking Molecular Dynamics with OpenCL on Many-Core Architectures
%V 10778
%C Cham
%I Springer International Publishing
%M FZJ-2018-02545
%@ 978-3-319-78053-5 (print)
%B Lecture Notes in Computer Science
%P 244 - 253
%D 2018
%< Parallel Processing and Applied Mathematics / Wyrzykowski, Roman (Editor)  [0000-0003-1724-1786]   ; Cham : Springer International Publishing, 2018, Chapter 23 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-78053-5=978-3-319-78054-2 ; doi:10.1007/978-3-319-78054-2
%X 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.
%B 12th International Conference on Parallel Processing and Applied Mathematics
%C 10 Sep 2017 - 13 Sep 2017, Lublin (Poland)
Y2 10 Sep 2017 - 13 Sep 2017
M2 Lublin, Poland
%F PUB:(DE-HGF)8 ; PUB:(DE-HGF)7
%9 Contribution to a conference proceedingsContribution to a book
%U <Go to ISI:>//WOS:000458563900023
%R 10.1007/978-3-319-78054-2_23
%U https://juser.fz-juelich.de/record/845264