Reference : Containers for portable, productive and performant scientific computing
Scientific journals : Article
Engineering, computing & technology : Computer science
Computational Sciences
Containers for portable, productive and performant scientific computing
Hale, Jack mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Engineering Research Unit >]
Li, Lizao [University of Minnesota > Department of Mathematics]
Richardson, Chris N. [University of Cambridge > BPI]
Wells, Garth N. [University of Cambridge > Department of Engineering]
Computing in Science & Engineering
American Institute of Physics/IEEE Computer Society
Yes (verified by ORBilu)
[en] Containers are an emerging technology that hold promise for improving productivity and code portability in scientific computing. We examine Linux container technology for the distribution of a non-trivial scientific computing software stack and its execution on a spectrum of platforms from laptop computers through to high performance computing (HPC) systems. We show on a workstation and a leadership-class HPC system that when deployed appropriately there are no performance penalties running scientific programs inside containers. For Python code run on large parallel computers, the run time is reduced inside a container due to faster library imports. The software distribution approach and data that we present will help developers and users decide on whether container technology is appropriate for them. We also provide guidance for the vendors of HPC systems that rely on proprietary libraries for performance on what they can do to make containers work seamlessly and without performance penalty.
Fonds National de la Recherche - FnR ; EPSRC ; National Science Foundation - NSF
Researchers ; Professionals
FnR ; FNR6693582 > Jack Samuel Hale > > Advanced Computational Methods for the Simulation of Cutting in Surgery > 01/01/2014 > 31/12/2015 > 2013

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