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

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

slide10

Fine grid model:

Total : 37824 grids

mid term behavior prediction
Mid-term behavior prediction

Serial computing

Parallel Computing

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)
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