This title appears in the Scientific Report :
2018
Please use the identifier:
http://hdl.handle.net/2128/18236 in citations.
Please use the identifier: http://dx.doi.org/10.1007/978-3-319-78054-2_23 in citations.
Benchmarking Molecular Dynamics with OpenCL on Many-Core Architectures
Benchmarking Molecular Dynamics with OpenCL on Many-Core Architectures
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 architec...
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Personal Name(s): | Halver, Rene |
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Homberg, Wilhelm / Sutmann, Godehard (Corresponding author) | |
Contributing Institute: |
Jülich Supercomputing Center; JSC |
Published in: |
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 |
Imprint: |
Cham
Springer International Publishing
2018
|
Physical Description: |
244 - 253 |
ISBN: |
978-3-319-78053-5 (print) 978-3-319-78054-2 (electronic) |
DOI: |
10.1007/978-3-319-78054-2_23 |
Conference: | 12th International Conference on Parallel Processing and Applied Mathematics, Lublin (Poland), 2017-09-10 - 2017-09-13 |
Document Type: |
Contribution to a book Contribution to a conference proceedings |
Research Program: |
Computational Science and Mathematical Methods |
Series Title: |
Lecture Notes in Computer Science
10778 |
Link: |
OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1007/978-3-319-78054-2_23 in citations.
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. |