AMANZI - A New Community-Based High-Performance Code for Reactive Transport Modeling: Deployment for BER Science Applications
EMSL Project ID
48941
Abstract
Advancing predictive models of complex environmental systems, such as the Earth's subsurface and terrestrial ecosystems, requires that high-performance computational software and hardware be made accessible to BER scientists. Meeting this requirement is an interdisciplinary challenge that is most effectively tackled through community contributions to open-source software. The U. S. Department of Energy's (DOE) Advanced Simulation Capability for Environmental Management program (ASCEM, http://ascemdoe.org) is an innovative ongoing effort to develop the next-generation predictive simulation capability for characterizing subsurface flow and contaminant transport at legacy sites around the DOE complex. As part of the ASCEM program, a high-performance parallel software package called Amanzi has been developed to simulate the coupled subsurface flow and reactive transport of contaminants. Amanzi was initiated as an open source community code and is built from only open-source components. Amanzi development has been funded by the DOE office of Environmental Management, and it is currently being used to analyze multiple DOE waste disposal sites in the demonstration and verification phase. However, Office of Science program managers, and in particular those of the Office of Biological and Environmental Research (BER), have been active supporters of the ASCEM program and would like to see the products of ASCEM (including Amanzi) become more broadly utilized by the DOE scientific community. At least three current BER-funded projects are already using or will use Amanzi and/or the Arctic Terrestrial Simulator (ATS), which leverages Amanzi's framework capabilities, as a key simulation engine. Many of the participants in the ASCEM program (including the PIs on this proposal) are also active investigators within BER science programs. These factors present an important opportunity for Amanzi and related software (e.g., the Akuna modeling platform) to become a key resource for BER investigators interested in incorporating predictive simulation of the terrestrial and subsurface environment into their research. Under this proposed project, the Amanzi code will be deployed on the Cascade supercomputer at EMSL and applied to three major ongoing research projects currently supported by BER/CESD. It will also be incorporated into the multiscale modeling capability currently being developed at EMSL through linkages to models at other scales (such as pore-scale flow and transport simulators).
Project Details
Project type
Large-Scale EMSL Research
Start Date
2015-10-01
End Date
2017-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Co-Investigator(s)
Team Members