Extending the capability of TOUGHREACT simulator using parallel computing

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Extending the capability of TOUGHREACT simulator using parallel computing

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Extending the capability of TOUGHREACT simulator using parallel computing

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Extending the capability of TOUGHREACT simulator using parallel computing

Application to environmental problems

Coupled Process in porous media simulator,

developed in Lawrence Berkley Lab.

Multi-phase flow

+

Solute transport

+

Geochemical reaction

- 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 .

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

Multi-level Graph Partition:

Metis

Large Sparse Linear System iterative solving

Aztec

Public Module

IO

Simulation procedure

Flow

Geochemical

Transport

Domain Decomposition

Subdomain Communication

EOS-MODULE

State

Update

Parallel Matrices Assemble

Index Transform-ation

Parallel Linear solving

Fine grid model:

Total : 37824 grids

Serial computing

Parallel Computing

- 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)

Thanks for your attention !