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Introduction
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Bands-parallelism in Castep A
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Analysis
Contents
Band-Parallelism
(Work Package 1)
Subsections
Introduction
Programming
Comms
Ion
Optimisation
Wave
Band-overlaps and dot-product
Rotations
Communication pattern
Optimisation Note
wave_(S)dot_lower
Type issues
wave_write
Band distribution
Known issues remaining
Density
Ewald
Electronic
Model
Secondd
Phonon
Testing
Benchmarking and Performance
Scope of Parallelism and Integration with main Castep Codebase
Sarfraz A Nadeem 2008-09-01