Detecting and resolving unsound workflow views for correct provenance analysis
Proceedings of the 2009 ACM SIGMOD International Conference on Management of data
Understanding provenance black boxes
Distributed and Parallel Databases
A provenance-based approach to resource discovery in distributed molecular dynamics workflows
RED'09 Proceedings of the 2nd international conference on Resource discovery
Generating sound workflow views for correct provenance analysis
ACM Transactions on Database Systems (TODS)
ProvManager: a provenance management system for scientific workflows
Concurrency and Computation: Practice & Experience
Capturing and querying workflow runtime provenance with PROV: a practical approach
Proceedings of the Joint EDBT/ICDT 2013 Workshops
User-steering of HPC workflows: state-of-the-art and future directions
Proceedings of the 2nd ACM SIGMOD Workshop on Scalable Workflow Execution Engines and Technologies
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Scientific experiments using workflows benefit from mechanisms to trace the generation of results. As workflows start to scale it is fundamental to have access to their underlying processes, parameters and data. Particularly in molecular dynamics (MD) simulations, a study of the interatomic interactions in proteins must use distributed high performance computing environments to produce timely results. Scientist’s trust in experiments produced by gathering distributed partial results may be limited without provenance information. This paper presents a service architecture that captures and stores provenance data from distributed, autonomous, replicated and heterogeneous resources. Such provenance data can be used to trace the history of the distributed execution process. These services can be coupled to workflow management systems. The Kepler system was used as a basis to manage a grid workflow application. Experimental results regarding cluster and grid MD simulations were evaluated using the provenance services architecture.