PNNL

Abstract

Applying subsurface simulation codes to understand heterogeneous flow and transport problems is a complex process potentially involving multiple models, multiple scales, and spanning multiple scientific disciplines. For each model used, the process may involve steps such as changing the model, acquiring and preparing input data sources, configuring the model, executing the model on a remote supercomputer, validating the results, and performing calibration and sensitivity analysis all before predictive modeling can be applied to important environmental remediation problems. This process involves many tools, scripts and data sources usually shared only though informal channels. Additionally, the process contains many sub-processes that are repeated frequently and could be automated and shared. Finally, keeping records of the models, processes, and correlation between inputs and outputs is currently manual, time consuming and error prone. We are developing a software framework that integrates a workflow execution environment, shared data repository, and analysis and visualization tools to support development and use of new hybrid subsurface simulation codes. We are taking advantage of recent advances in scientific process automation using the Kepler system and advances in data services based on content management. Extensibility and flexibility are underlying design considerations to support the constantly changing set of tools, scripts, and models available. We describe the architecture and components of this system with early examples of applying it to a continuum subsurface model.