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Extending the capability of TOUGHREACT simulator using parallel computing

Extending the capability of TOUGHREACT simulator using parallel computing. Application to environmental problems. What is TOUGHREACT ?. Coupled Process in porous media simulator, developed in Lawrence Berkley Lab. Multi-phase flow + Solute transport + Geochemical reaction.

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Extending the capability of TOUGHREACT simulator using parallel computing

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  1. Extending the capability of TOUGHREACT simulator using parallel computing Application to environmental problems

  2. What is TOUGHREACT ? Coupled Process in porous media simulator, developed in Lawrence Berkley Lab. Multi-phase flow + Solute transport + Geochemical reaction

  3. Motivation of the work • Lab code constraints: • Developed for testing the model • Running on workstation or laptop • Numerical model can not scaling ( 8000 discrete grids limited) • Engineering requirements: • Carrying the simulation of site-scale model involved complex processes • Improve the speed in numerical solving .

  4. Method • Redevelop the software package using parallel computing schema. • Domain Decomposition. • Communication between divided subdomains(MPI)

  5. Domain Partition Multi-level Graph Partition: Metis

  6. Parallel Linear Solver Large Sparse Linear System iterative solving Aztec

  7. Public Module Module organization IO Simulation procedure Flow Geochemical Transport Domain Decomposition Subdomain Communication EOS-MODULE State Update Parallel Matrices Assemble Index Transform-ation Parallel Linear solving

  8. Application: Carbon dioxide sequestration

  9. Fine grid model: Total : 37824 grids

  10. Mid-term behavior prediction Serial computing Parallel Computing

  11. Runtime Statistics

  12. What we’ve gained from work • A new software package running on parallel computing facility ( Cluster …) • Speed up ( 20 X – 40 X in test case ) • Simulation model scaling up ( 100,000 grids have been tested)

  13. Thanks for your attention !

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