Parallel Implementation of Isothermal and Isoenergetic Dissipative Particle Dynamics using Shardlow-like Splitting Algorithms

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F14%3A00429220" target="_blank" >RIV/67985858:_____/14:00429220 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/44555601:13440/14:43885824

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.cpc.2014.03.029" target="_blank" >http://dx.doi.org/10.1016/j.cpc.2014.03.029</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.cpc.2014.03.029" target="_blank" >10.1016/j.cpc.2014.03.029</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Parallel Implementation of Isothermal and Isoenergetic Dissipative Particle Dynamics using Shardlow-like Splitting Algorithms

Popis výsledku v původním jazyce

A parallel implementation of the Shardlow splitting algorithm (SSA) for Dissipative Particle Dynamics (DPD) simulations is presented. The isothermal and isoenergetic SSA implementations are compared to the DPD version of the velocity-Verlet integrator interms of numerical stability and performance. The integrator stability is assessed by monitoring temperature, pressure and total energy for both the standard and ideal DPD fluid models. The SSA requires special consideration due to its recursive natureresulting in more inter-processor communication as compared to traditional DPD integrators. Nevertheless, this work demonstrates that the SSA exhibits stability over longer time steps that justify its regular use in parallel, multi-core applications. Forthe computer architecture used in this study, a factor of 10?100 speedup is achieved in the overall time-to-solution for isoenergetic DPD simulations and a 15?34 speedup is achieved for the isothermal DPD simulations.

Název v anglickém jazyce

Parallel Implementation of Isothermal and Isoenergetic Dissipative Particle Dynamics using Shardlow-like Splitting Algorithms

Popis výsledku anglicky

A parallel implementation of the Shardlow splitting algorithm (SSA) for Dissipative Particle Dynamics (DPD) simulations is presented. The isothermal and isoenergetic SSA implementations are compared to the DPD version of the velocity-Verlet integrator interms of numerical stability and performance. The integrator stability is assessed by monitoring temperature, pressure and total energy for both the standard and ideal DPD fluid models. The SSA requires special consideration due to its recursive natureresulting in more inter-processor communication as compared to traditional DPD integrators. Nevertheless, this work demonstrates that the SSA exhibits stability over longer time steps that justify its regular use in parallel, multi-core applications. Forthe computer architecture used in this study, a factor of 10?100 speedup is achieved in the overall time-to-solution for isoenergetic DPD simulations and a 15?34 speedup is achieved for the isothermal DPD simulations.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Computer Physics Communications

ISSN

0010-4655

e-ISSN

—

Svazek periodika

185

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

12

Strana od-do

1987-1998

Kód UT WoS článku

000337768700015

EID výsledku v databázi Scopus

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