Web Service andWorkflow Abstractions to Large Scale Nuclear Physics Calculations
Chathura Herath, Fang Cherry Liu, Suresh Marru, Lahiru Gunathilake, Masha Sosonkina, James P. Vary, Pieter Maris, Marlon Pierce · 2012
This paper discusses the web service and scientific workflow abstractions to next generation ab initio computational nuclear physics resources as part of the Leadership Class Configuration Interaction (LCCI) Environment. These abstractions will rapidly and efficiently involve new collaborators and graduate students in productive research. The workflow infrastructure democratizes the access to the nuclear physics simulations executing on remote supercomputing resources. The paper focuses on employing an open community based workflow system in developing and deploying LCCI infrastructures. The paper also emphasizes on the enhancements made to infrastructure to add advanced workflow capabilities providing greater flexibility in handling parametric sweeps and provenance aware workflows. The paper discusses on how the provenance integration will not only capture execution trace but dynamically modify the workflow graph at run time to re-use retrospective execution results.