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The Journal of Supercomputing

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07-03-2017

Exploiting multilevel parallelism on a many-core system for the application of hyperheuristics to a molecular docking problem

Authors: José M. Cecilia, José-Matías Cutillas-Lozano, Domingo Giménez, Baldomero Imbernón

Published in: The Journal of Supercomputing | Issue 5/2018

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Abstract

The solution of Protein–Ligand Docking Problems can be approached through metaheuristics, and satisfactory metaheuristics can be obtained with hyperheuristics searching in the space of metaheuristics implemented inside a parameterized schema. These hyperheuristics apply several metaheuristics, resulting in high computational costs. To reduce execution times, a shared-memory schema of hyperheuristics is used with four levels of parallelism, two for the hyperheuristic and two for the metaheuristics. The parallel schema is executed in a many-core system in “native mode,” and the four-level parallelism allows us to take full advantage of the massive parallelism offered by this architecture and obtain satisfactory fitness and an important reduction in the execution time.

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Title: Exploiting multilevel parallelism on a many-core system for the application of hyperheuristics to a molecular docking problem
Authors: José M. Cecilia
José-Matías Cutillas-Lozano
Domingo Giménez
Baldomero Imbernón
Publication date: 07-03-2017
Publisher: Springer US
Published in: The Journal of Supercomputing / Issue 5/2018
Print ISSN: 0920-8542
Electronic ISSN: 1573-0484
DOI: https://doi.org/10.1007/s11227-017-1989-7

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