A Parallelization Scheme for New DPD-B Thermostats
Joint Authors
Hadar, A.
Dragoi, G.
Goga, N.
Moga, S. A.
Source
Journal of Atomic and Molecular Physics
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-11-12
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
This paper presents the MPI parallelization of a new algorithm—DPD-B thermostat—for molecular dynamics simulations.
The presented results are using Martini Coarse Grained Water System.
It should be taken into account that molecular dynamics simulations are time consuming.
In some cases the running time varies from days to weeks and even months.
Therefore, parallelization is one solution for reducing the execution time.
The paper describes the new algorithm, the main characteristics of the MPI parallelization of the new algorithm, and the simulation performances.
American Psychological Association (APA)
Moga, S. A.& Dragoi, G.& Hadar, A.& Goga, N.. 2013. A Parallelization Scheme for New DPD-B Thermostats. Journal of Atomic and Molecular Physics،Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-482349
Modern Language Association (MLA)
Moga, S. A.…[et al.]. A Parallelization Scheme for New DPD-B Thermostats. Journal of Atomic and Molecular Physics No. 2013 (2013), pp.1-6.
https://search.emarefa.net/detail/BIM-482349
American Medical Association (AMA)
Moga, S. A.& Dragoi, G.& Hadar, A.& Goga, N.. A Parallelization Scheme for New DPD-B Thermostats. Journal of Atomic and Molecular Physics. 2013. Vol. 2013, no. 2013, pp.1-6.
https://search.emarefa.net/detail/BIM-482349
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-482349
