FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures

Published: 29 Nov 2019 | Version 1 | DOI: 10.17632/p528xpts54.1

Description of this data

Abstract
We present FabSim, a toolkit developed to simplify a range of computational tasks for researchers in diverse disciplines. FabSim is flexible, adaptable, and allows users to perform a wide range of tasks with ease. It also provides a systematic way to automate the use of resources, including HPC and distributed machines, and to make tasks easier to repeat by recording contextual information. To demonstrate this, we present three use cases where FabSim has enhanced our research productivity. Th...

Title of program: FabSim
Catalogue Id: AFAO_v1_0

Nature of problem
Running advanced computations using remote resources is an activity that requires considerable time and human attention. These activities, such as organizing data, configuring software and setting up individual runs often vary slightly each time they are performed. To lighten this burden, we required an approach that introduced little burden of its own to set up and adapt, beyond which very substantial productivity ensues.

Versions of this program held in the CPC repository in Mendeley Data
AFAO_v1_0; FabSim; 10.1016/j.cpc.2016.05.020

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

Experiment data files

This data is associated with the following publication:

FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures

Published in: Computer Physics Communications

Latest version

  • Version 1

    2019-11-29

    Published: 2019-11-29

    DOI: 10.17632/p528xpts54.1

    Cite this dataset

    Groen, Derek; Bhati, Agastya P.; Suter, James; Hetherington, James; Zasada, Stefan J.; Coveney, Peter V. (2019), “FabSim: Facilitating computational research through automation on large-scale and distributed e-infrastructures ”, Mendeley Data, v1 http://dx.doi.org/10.17632/p528xpts54.1

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Categories

Molecular Biology, Computer Hardware, Software, Biological Sciences, Programming Languages, Computational Physics, Computational Method

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