5,119 research outputs found
A Taxonomy of Workflow Management Systems for Grid Computing
With the advent of Grid and application technologies, scientists and
engineers are building more and more complex applications to manage and process
large data sets, and execute scientific experiments on distributed resources.
Such application scenarios require means for composing and executing complex
workflows. Therefore, many efforts have been made towards the development of
workflow management systems for Grid computing. In this paper, we propose a
taxonomy that characterizes and classifies various approaches for building and
executing workflows on Grids. We also survey several representative Grid
workflow systems developed by various projects world-wide to demonstrate the
comprehensiveness of the taxonomy. The taxonomy not only highlights the design
and engineering similarities and differences of state-of-the-art in Grid
workflow systems, but also identifies the areas that need further research.Comment: 29 pages, 15 figure
PaPaS: A Portable, Lightweight, and Generic Framework for Parallel Parameter Studies
The current landscape of scientific research is widely based on modeling and
simulation, typically with complexity in the simulation's flow of execution and
parameterization properties. Execution flows are not necessarily
straightforward since they may need multiple processing tasks and iterations.
Furthermore, parameter and performance studies are common approaches used to
characterize a simulation, often requiring traversal of a large parameter
space. High-performance computers offer practical resources at the expense of
users handling the setup, submission, and management of jobs. This work
presents the design of PaPaS, a portable, lightweight, and generic workflow
framework for conducting parallel parameter and performance studies. Workflows
are defined using parameter files based on keyword-value pairs syntax, thus
removing from the user the overhead of creating complex scripts to manage the
workflow. A parameter set consists of any combination of environment variables,
files, partial file contents, and command line arguments. PaPaS is being
developed in Python 3 with support for distributed parallelization using SSH,
batch systems, and C++ MPI. The PaPaS framework will run as user processes, and
can be used in single/multi-node and multi-tenant computing systems. An example
simulation using the BehaviorSpace tool from NetLogo and a matrix multiply
using OpenMP are presented as parameter and performance studies, respectively.
The results demonstrate that the PaPaS framework offers a simple method for
defining and managing parameter studies, while increasing resource utilization.Comment: 8 pages, 6 figures, PEARC '18: Practice and Experience in Advanced
Research Computing, July 22--26, 2018, Pittsburgh, PA, US
Enhancing Workflow with a Semantic Description of Scientific Intent
Peer reviewedPreprin
Designing Traceability into Big Data Systems
Providing an appropriate level of accessibility and traceability to data or
process elements (so-called Items) in large volumes of data, often
Cloud-resident, is an essential requirement in the Big Data era.
Enterprise-wide data systems need to be designed from the outset to support
usage of such Items across the spectrum of business use rather than from any
specific application view. The design philosophy advocated in this paper is to
drive the design process using a so-called description-driven approach which
enriches models with meta-data and description and focuses the design process
on Item re-use, thereby promoting traceability. Details are given of the
description-driven design of big data systems at CERN, in health informatics
and in business process management. Evidence is presented that the approach
leads to design simplicity and consequent ease of management thanks to loose
typing and the adoption of a unified approach to Item management and usage.Comment: 10 pages; 6 figures in Proceedings of the 5th Annual International
Conference on ICT: Big Data, Cloud and Security (ICT-BDCS 2015), Singapore
July 2015. arXiv admin note: text overlap with arXiv:1402.5764,
arXiv:1402.575
AiiDA: Automated Interactive Infrastructure and Database for Computational Science
Computational science has seen in the last decades a spectacular rise in the
scope, breadth, and depth of its efforts. Notwithstanding this prevalence and
impact, it is often still performed using the renaissance model of individual
artisans gathered in a workshop, under the guidance of an established
practitioner. Great benefits could follow instead from adopting concepts and
tools coming from computer science to manage, preserve, and share these
computational efforts. We illustrate here our paradigm sustaining such vision,
based around the four pillars of Automation, Data, Environment, and Sharing. We
then discuss its implementation in the open-source AiiDA platform
(http://www.aiida.net), that has been tuned first to the demands of
computational materials science. AiiDA's design is based on directed acyclic
graphs to track the provenance of data and calculations, and ensure
preservation and searchability. Remote computational resources are managed
transparently, and automation is coupled with data storage to ensure
reproducibility. Last, complex sequences of calculations can be encoded into
scientific workflows. We believe that AiiDA's design and its sharing
capabilities will encourage the creation of social ecosystems to disseminate
codes, data, and scientific workflows.Comment: 30 pages, 7 figure
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