Function portability of molecular dynamics on heterogeneous parallel architectures with OpenCL.
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| Title: | Function portability of molecular dynamics on heterogeneous parallel architectures with OpenCL. |
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| Authors: | Halver, Rene1 r.halver@fz-juelich.de, Homberg, Wilhelm1 w.homberg@fz-juelich.de, Sutmann, Godehard1,2 g.sutmann@fz-juelich.de |
| Source: | Journal of Supercomputing. Apr2018, Vol. 74 Issue 4, p1522-1533. 12p. |
| Subjects: | OpenCL (Computer program language), Parallel processing, Molecular dynamics, Heterogeneous computing, Multicore processors |
| Abstract: | Classical molecular dynamics simulation for atomistic systems is implemented in OpenCL and benchmarked on a variety of different hardware platforms. Modifying the number of particles and system size in the study provides insight into characteristics of parallel compute platforms, where latency, data transfer, memory access characteristics and compute intense work can be identified as fingerprints in benchmark runs. Data layouts are compared, for which the access of structure-of-arrays shows best performance in most cases. It is demonstrated that function portability can be achieved straightforwardly with OpenCL, while performance portability lacks behind as various architectures strongly depend on specific vectorisation optimisation. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Supercomputing is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 128656651 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Function portability of molecular dynamics on heterogeneous parallel architectures with OpenCL. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Halver%2C+Rene%22">Halver, Rene</searchLink><relatesTo>1</relatesTo><i> r.halver@fz-juelich.de</i><br /><searchLink fieldCode="AR" term="%22Homberg%2C+Wilhelm%22">Homberg, Wilhelm</searchLink><relatesTo>1</relatesTo><i> w.homberg@fz-juelich.de</i><br /><searchLink fieldCode="AR" term="%22Sutmann%2C+Godehard%22">Sutmann, Godehard</searchLink><relatesTo>1,2</relatesTo><i> g.sutmann@fz-juelich.de</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Supercomputing%22">Journal of Supercomputing</searchLink>. Apr2018, Vol. 74 Issue 4, p1522-1533. 12p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22OpenCL+%28Computer+program+language%29%22">OpenCL (Computer program language)</searchLink><br /><searchLink fieldCode="DE" term="%22Parallel+processing%22">Parallel processing</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Heterogeneous+computing%22">Heterogeneous computing</searchLink><br /><searchLink fieldCode="DE" term="%22Multicore+processors%22">Multicore processors</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Classical molecular dynamics simulation for atomistic systems is implemented in OpenCL and benchmarked on a variety of different hardware platforms. Modifying the number of particles and system size in the study provides insight into characteristics of parallel compute platforms, where latency, data transfer, memory access characteristics and compute intense work can be identified as fingerprints in benchmark runs. Data layouts are compared, for which the access of structure-of-arrays shows best performance in most cases. It is demonstrated that function portability can be achieved straightforwardly with OpenCL, while performance portability lacks behind as various architectures strongly depend on specific vectorisation optimisation. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Supercomputing is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1007/s11227-017-2232-2 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 12 StartPage: 1522 Subjects: – SubjectFull: OpenCL (Computer program language) Type: general – SubjectFull: Parallel processing Type: general – SubjectFull: Molecular dynamics Type: general – SubjectFull: Heterogeneous computing Type: general – SubjectFull: Multicore processors Type: general Titles: – TitleFull: Function portability of molecular dynamics on heterogeneous parallel architectures with OpenCL. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Halver, Rene – PersonEntity: Name: NameFull: Homberg, Wilhelm – PersonEntity: Name: NameFull: Sutmann, Godehard IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 04 Text: Apr2018 Type: published Y: 2018 Identifiers: – Type: issn-print Value: 09208542 Numbering: – Type: volume Value: 74 – Type: issue Value: 4 Titles: – TitleFull: Journal of Supercomputing Type: main |
| ResultId | 1 |
