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

Extending the capability of TOUGHREACT simulator using parallel computing

Application to environmental problems


What is toughreact

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

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

Method

  • Redevelop the software package using parallel computing schema.

  • Domain Decomposition.

  • Communication between divided subdomains(MPI)


Domain partition

Domain Partition

Multi-level Graph Partition:

Metis


Parallel linear solver

Parallel Linear Solver

Large Sparse Linear System iterative solving

Aztec


Module organization

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

Application: Carbon dioxide sequestration


Extending the capability of toughreact simulator using parallel computing

Fine grid model:

Total : 37824 grids


Mid term behavior prediction

Mid-term behavior prediction

Serial computing

Parallel Computing


Runtime statistics

Runtime Statistics


What we ve gained from work

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)


Extending the capability of toughreact simulator using parallel computing

Thanks for your attention !


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