Web Service andWorkflow Abstractions to Large Scale Nuclear Physics Calculations

This paper discusses the web service and scientificworkflow abstractions to next generation ab initio computationalnuclear physics resources as part of the Leadership ClassConfiguration Interaction (LCCI) Environment. These abstractionswill rapidly and efficiently involve new collaboratorsand graduate students in productive research. The workflowinfrastructure democratizes the access to the nuclear physicssimulations executing on remote supercomputing resources.The paper focuses on employing an open community basedworkflow system in developing and deploying LCCI infrastructures.The paper also emphasizes on the enhancementsmade to infrastructure to add advanced workflow capabilitiesproviding greater flexibility in handling parametric sweeps andprovenance aware workflows. The paper discusses on how theprovenance integration will not only capture execution tracebut dynamically modify the workflow graph at run time tore-use retrospective execution results.