Optimized Force Calculation in Molecular Dynamics Simulations for the Intel Xeon Phi

Autor:	Colin W. Glass, Hans-Joachim Bungartz, Nikola Tchipev, Philipp Neumann, Wolfgang Eckhardt, Amer Wafai, Alexander Heinecke
Rok vydání:	2015
Předmět:	Scheme (programming language) Molecular dynamics Computer science Parallel computing Ivy Bridge computer Xeon Phi computer.programming_language
Zdroj:	Euro-Par 2015: Parallel Processing Workshops ISBN: 9783319273075 Euro-Par Workshops
DOI:	10.1007/978-3-319-27308-2_62
Popis:	We provide details on the shared-memory parallelization for manycore architectures of the molecular dynamics framework ls1-mardyn, including an optimization of the SIMD vectorization for multi-centered molecules. The novel shared-memory parallelization scheme allows to retain Newton’s third law optimization and exhibits very good scaling on many-core devices such as a full Xeon Phi card running 240 threads. The Xeon Phi can thus be exploited and delivers comparable performance as IvyBridge nodes in our experiments.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::71750aa23792c4a7942cf0bd09afc853 https://doi.org/10.1007/978-3-319-27308-2_62 Zobrazit plný text záznamu