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Load-balancing of Molecular Dynamics bySubdivision And Distribution of Domains in LargeMulti-Core Systems
KTH, School of Computer Science and Communication (CSC).
2013 (English)Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
Abstract [en]

Abstract

Molecular dynamics simulates the behaviour of particles in interaction by calculating the trajectories using computational demanding numerical methods. A Molecular dynamics application often takes advantage of modern computer architecture with large multi-core systems by subdividing the simulated scenario into smaller domains. The subdivided domains are distributed over a number of instances running in parallel to gain computational performance. A problem with domain decomposition is uneven particle distribution which can cause load imbalance. This report suggest a solution based on further subdivision and distribution of domains on application level.

Abstract [sv]

Referat

Lastbalansering av molekylär dynamik genom nerdelning och distribution av domäner i stora multprocessorsystem Molekylär dynamik simulerar beteendet hos partiklar som interagerar genom att kalkylera partikelbanor med användande av beräkningstunga numeriska metoder. En applikation för molekylär dynamik drar ofta fördel av stora multiprocessorsystem genom att dela ner simuleringsscenariot i mindre domäner. The nerdelade domänerna fördelas på instanser som körs parallellt. Ett problem som kan uppstå vid nerdelning av domän är ojämn last på grund av partikelfördelning i simuleringsscenariot. Denna rapport föreslår ett sätt att lösa detta genom ytterligare nerdelning och distribution av tungt lastade domäner.

Place, publisher, year, edition, pages
2013.
National Category
Computer Science
Identifiers
URN: urn:nbn:se:kth:diva-142008OAI: oai:DiVA.org:kth-142008DiVA: diva2:699422
Educational program
Master of Science in Engineering - Computer Science and Technology
Supervisors
Examiners
Available from: 2014-03-13 Created: 2014-02-27 Last updated: 2015-01-21Bibliographically approved

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CiteExportLink to record
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Citation style
  • apa
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Output format
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