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Maximizing resource usage in multifold molecular dynamics with rCUDA

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Prades, J.; Imbernon, B.; Reaño González, C.; Peña-García, J.; Cerón-Carrasco, JP.; Silla Jiménez, F.; Pérez-Sánchez, H. (2020). Maximizing resource usage in multifold molecular dynamics with rCUDA. International Journal of High Performance Computing Applications. 34(1):5-19. https://doi.org/10.1177/1094342019857131

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/151657

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Title: Maximizing resource usage in multifold molecular dynamics with rCUDA
Author: Prades, Javier Imbernon, Baldomero Reaño González, Carlos Peña-García, Jorge Cerón-Carrasco, Jose Pedro Silla Jiménez, Federico Pérez-Sánchez, Horacio
UPV Unit: Universitat Politècnica de València. Departamento de Informática de Sistemas y Computadores - Departament d'Informàtica de Sistemes i Computadors
Issued date:
Embargo end date: 2021-01-31
Abstract:
[EN] The full-understanding of the dynamics of molecular systems at the atomic scale is of great relevance in the fields of chemistry, physics, materials science, and drug discovery just to name a few. Molecular dynamics ...[+]
Subjects: Molecular dynamics , GPU virtualization , RCUDA , GROMACS , GPU
Copyrigths: Embargado
Source:
International Journal of High Performance Computing Applications. (issn: 1094-3420 )
DOI: 10.1177/1094342019857131
Publisher:
SAGE Publications
Publisher version: https://doi.org/10.1177/1094342019857131
Conference name: 6th Novel High Performance Computing algorithms and platforms in Bioinformatics (BIO-HPC 18)
Conference place: Eugene, USA
Conference date: Agosto 13-16,2018
Project ID:
MICINN/TIN2016-78799-P
...[+]
MICINN/TIN2016-78799-P
Fundación Séneca-Agencia de Ciencia y Tecnología de la Región de Murcia /20813/PI/18
Fundación Séneca-Agencia de Ciencia y Tecnología de la Región de Murcia /20524/PDC/18
Fundación Séneca-Agencia de Ciencia y Tecnología de la Región de Murcia /20988/PI/18
MEC/TIN2015-66972-C5-3-R
MEC/CTQ2017-87974-R
UPV/PROMETEO/2017/077
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Thanks:
The author(s) disclosed receipt of the following financial support for the research, authorship, and/or publication of this article: This work was jointly supported by the Funda-cio¿n S¿eneca (Agencia Regional de Ciencia ...[+]
Type: Artículo Comunicación en congreso

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