Gaining Cross-Platform Parallelism for HAL’s Molecular Dynamics Package using SYCL

dc.contributor.author	Skoblin, Viktor
dc.contributor.author	Höfling, Felix
dc.contributor.author	Christgau, Steffen
dc.date.accessioned	2024-09-25T11:27:24Z
dc.date.available	2024-09-25T11:27:24Z
dc.date.issued	2024
dc.description.abstract	Molecular dynamics simulations are one of the methods in scientific computing that benefitfrom GPU acceleration. For those devices, SYCL is a promising API for writing portable codes. In this paper, we present the case study of HAL’s MD package that has been successfully migrated from CUDA to SYCL. We describe the different strategies that we followed in the process of porting the code. Following these strategies, we achieved code portability across major GPU vendors. Depending on the actual kernels, both significant performance improvements and regressions are observed. As a side effect of the migration process, we obtained impressing speedups also for execution on CPUs.	de
dc.identifier.issn	0177-0454
dc.identifier.uri	https://dl.gi.de/handle/20.500.12116/44644
dc.language.iso	de
dc.pubPlace	Aachen
dc.publisher	Gesellschaft für Informatik e.V., Fachgruppe PARS
dc.relation.ispartof	PARS-Mitteilungen: Vol. 36
dc.title	Gaining Cross-Platform Parallelism for HAL’s Molecular Dynamics Package using SYCL	de
dc.type	Text/Journal Article
mci.reference.pages	67-77

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