Table of Contents
Molecular Dynamics on Distributed Memory Parallel Computers
Parallel Computer Architectures
Shared Memory
Distributed Memory
Virtual Shared Memory
Workstation Cluster: Beowulf
Centralised Cluster
Criteria for Assessing Parallel Strategies
Scaling
Performance Parameters
Performance Parameters
Molecular Dynamics
Example: MD Simulation of Argon
Molecular Dynamics
Basic MD Parallelization Strategies
Computing Ensemble
Cloning MD Algorithm - Advantages
Cloning MD Algorithm - Disadvantages
Hierarchical Control
Master-Slave MD Algorithms
Master-Slave II
Replicated Data MD Algorithm
Replicated Data MD Algorithm
Replicated Data Performance Characteristics
Replicated Data Performance Characteristics
Replicated Data Efficiency
Replicated Data Performance
Replicated Data MD Algorithm - Advantages
Replicated Data MD Algorithm - Disadvantages
Systolic Loops: SLS-G Algorithm
Systolic Loops: SLS-G Algorithm
Systolic Loop (SLS-G) Algorithm Features
Systolic Loop Performance Characteristics
Systolic Loop Performance Characteristics
Systolic Loop Algorithm Efficiency
Systolic Loop Algorithm Performance
Systolic Loop Algorithms - Advantages
Systolic Loop Algorithms - Disadvantages
Systolic Loop Algorithms - Overlapping Comms. and Calcs.
Domain Decomposition (Scalar)
Domain Decomposition (Parallel)
Domain Decomposition MD - Features
Domain Decomposition MD Performance Characteristics
Domain Decomposition MD Performance Characteristics
Domain Decomposition MD Performance Characteristics
Domain Decomposition Algorithm Efficiency
Domain Decomposition Algorithm Performance
Domain Decomposition MD - Advantages
Dynamic Load Balancing
Domain Decomposition MD - Disadvantages
Summary
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Author: Authorized User
Email: w.smith@dl.ac.uk
Other information:
Computational Science and Engineering
CCLRC Daresbury Laboratory
Daresbury
Warrington WA4 4AD
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