Molecular dynamics on distributed-memory MIMD computers with load balancing

Y. F. Deng; R. A. McCoy; R. B. Marr; R. F. Peierls; O. Yasar

doi:10.1016/0893-9659(95)00027-N

Molecular dynamics on distributed-memory MIMD computers with load balancing

Y. F. Deng
, R. A. McCoy
, R. B. Marr
, R. F. Peierls
, O. Yasar

Applied Mathematics and Statistics

Stony Brook University
Brookhaven National Laboratory
Oak Ridge National Laboratory

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

We report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 1024 nodes for 400 million particles and (2) a new method for dynamic load balancing.

Original language	English
Pages (from-to)	37-41
Number of pages	5
Journal	Applied Mathematics Letters
Volume	8
Issue number	3
DOIs	https://doi.org/10.1016/0893-9659(95)00027-N
State	Published - May 1995

Keywords

Dynamic load balance
Lennard-Jones potential
Line-cell algorithm
Molecular dynamics
Parallel computing

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10.1016/0893-9659(95)00027-N

Cite this

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title = "Molecular dynamics on distributed-memory MIMD computers with load balancing",

abstract = "We report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 1024 nodes for 400 million particles and (2) a new method for dynamic load balancing.",

keywords = "Dynamic load balance, Lennard-Jones potential, Line-cell algorithm, Molecular dynamics, Parallel computing",

author = "Deng, \{Y. F.\} and McCoy, \{R. A.\} and Marr, \{R. B.\} and Peierls, \{R. F.\} and O. Yasar",

year = "1995",

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AU - Deng, Y. F.

AU - McCoy, R. A.

AU - Marr, R. B.

AU - Peierls, R. F.

AU - Yasar, O.

PY - 1995/5

Y1 - 1995/5

N2 - We report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 1024 nodes for 400 million particles and (2) a new method for dynamic load balancing.

AB - We report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 1024 nodes for 400 million particles and (2) a new method for dynamic load balancing.

KW - Dynamic load balance

KW - Lennard-Jones potential

KW - Line-cell algorithm

KW - Molecular dynamics

KW - Parallel computing

UR - https://www.scopus.com/pages/publications/0039952499

U2 - 10.1016/0893-9659(95)00027-N

DO - 10.1016/0893-9659(95)00027-N

M3 - Article

AN - SCOPUS:0039952499

SN - 0893-9659

VL - 8

SP - 37

EP - 41

JO - Applied Mathematics Letters

JF - Applied Mathematics Letters

IS - 3

ER -

Molecular dynamics on distributed-memory MIMD computers with load balancing

Abstract

Keywords

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