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. 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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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


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 .


Method

  • Redevelop the software package using parallel computing schema.

  • Domain Decomposition.

  • Communication between divided subdomains(MPI)


Domain Partition

Multi-level Graph Partition:

Metis


Parallel Linear Solver

Large Sparse Linear System iterative solving

Aztec


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


Application: Carbon dioxide sequestration


Fine grid model:

Total : 37824 grids


Mid-term behavior prediction

Serial computing

Parallel Computing


Runtime Statistics


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)


Thanks for your attention !


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