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Robert Gordon University

Adaptive heterogeneous parallelism for semi-empirical lattice dynamics in computational materials science.

Abstract

dc:description.abstract

With the variability in performance of the multitude of parallel environments available today, the conceptual overhead created by the need to anticipate runtime information to make design-time decisions has become overwhelming. Performance-critical applications and libraries carry implicit assumptions based on incidental metrics that are not portable to emerging computational platforms or even alternative contemporary architectures. Furthermore, the significance of runtime concerns such as makespan, energy efficiency and fault tolerance depends on the situational context. This thesis presents a case study in the application of both Mattsons prescriptive pattern-oriented approach and the more principled structured parallelism formalism to the computational simulation of inelastic neutron scattering spectra on hybrid CPU/GPU platforms. The original ad hoc implementation as well as new patternbased and structured implementations are evaluated for relative performance and scalability. Two new structural abstractions are introduced to facilitate adaptation by lazy optimisation and runtime feedback. A deferred-choice abstraction represents a unified space of alternative structural program variants, allowing static adaptation through model-specific exhaustive calibration with regards to the extrafunctional concerns of runtime, average instantaneous power and total energy usage. Instrumented queues serve as mechanism for structural composition and provide a representation of extrafunctional state that allows realisation of a market-based decentralised coordination heuristic for competitive resource allocation and the Lyapunov drift algorithm for cooperative scheduling.

Degree

thesis:*
Name dc:type.qualificationname
PhD
Level dc:type.qualificationlevel
Doctoral
Grantor dc:publisher.institution
Robert Gordon University
Year dc:date.issued
2015

Author and committee

dc:creator, dc:contributor.*
Author dc:creator
  • Garba, Michael
Advisor dc:contributor.advisor
  • John McCall, Horacio Gonzalez-Velez and Daniel Roach

Rights

Language dc:language
en

Identifiers

dc:identifier.*
Identifier
oai:rgu-repository.worktribe.com:248717
OAI identifier oai:identifier
oai:rgu-repository.worktribe.com:248717

Chain of custody

source
Harvested from
Robert Gordon University
Base URL
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Last updated
2026-07-24
Source record
OAI-PMH GetRecord
related terms
citation

Garba, Michael. Adaptive heterogeneous parallelism for semi-empirical lattice dynamics in computational materials science.. Doctoral thesis, Robert Gordon University, 2015. https://rgu-repository.worktribe.com/248717/1/GARBA%202015%20Adaptive%20heterogeneous%20parallelism