Enhancing_eResearch_productivity_with_NeSIs_consultancy_service.pdf (1.12 MB)

Enhancing eResearch productivity with NeSI's consultancy service

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posted on 10.03.2020 by Alexander Pletzer, Chris Scott, Wolfgang Hayek, Georgina Rae
Many research areas from bioinformatics and genomics, to materials science, fundamental physics, earthquake simulation and weather/climate prediction are increasingly dependent on the availability of powerful computing platforms and deep software stacks. Unfortunately, scientific software too often runs at sub-optimal performance, sometimes reaching only a few percent of the maximum peak performance of the supercomputer. Small changes in code implementation details, the choice of compilers and libraries and adjustments in runtime environment have been shown to sometimes have a significant impact on code performance. By walking through some examples, we show how researchers were able to leverage NeSI’s free consultancy service to squeeze more performance out of their application, sometimes reducing the execution time by several factors, a win-win solution which benefits science and saves core hours.

ABOUT THE AUTHOR(S)
Alex Pletzer is research software engineer for NeSI at NIWA. Originally a physicist, Alex drifted towards high performance during a career that spans research in plasma physics, working for a private company in Colorado and supporting users at university in Pennsylvania.

Chris Scott is research software engineer for NeSI at University of Auckland. Currently lead of the computational science team, Chris has a background in molecular dynamics, Monte Carlo methods, finite element analysis, visualisation and parallel computing

Wolfgang Hayek is research software engineer for NeSI at NIWA and scientific programming group lead at NIWA. Wolfgang has expertise in radiative transfer modelling, fluid dynamics, data analysis and high performance computing

Georgina Rae is engagement manager and, until recently, was team lead for the computational science team. Georgina has experience in food and plant research and has worked in the world of intellectual property and commercialisation

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