A workflow management and grid computing approach to molecular simulation-based bio/nano experiments
ICCS'03 Proceedings of the 2003 international conference on Computational science
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Workflow techniques are emerging as an important approach for the specification and management of complex processing tasks. This approach is especially powerful for utilizing distributed data and processing resources in widely distributed heterogeneous systems. We describe our DISCWorld distributed workflow environment for composing complex processing chains, which are specified as a directed acyclic graph of operators. Users of our system can formulate processing chains using either graphical or scripting tools. We have deployed our system for image processing applications and decision support systems. We describe the technologies we have developed to enable the execution of these processing chains across wide-area computing systems. In particular, we present our Distributed Job Placement Language (based on XML) and various Java interface approaches we have developed for implementing the workflow metaphor. We outline a number of key issues for implementing a high-performance, reliable, distributed workflow management system.