TOUGH2-PETSc: A Parallel Solver for TOUGH2

TOUGH2 is a general-purpose numerical simulation program for multi-dimensional, multiphase, multicomponent fluid flows, heat transfer and contaminant transport in porous and fractured media. It has been used worldwide for geothermal reservoir engineering, nuclear waste isolation, environmental assessment and remediation, and modeling flow and transport in variably saturated media. TOUGH2 is very computationally intense, and the accuracy and scope of the simulation is limited by the amount of processing power available on a single computer. This makes it an ideal canadate for parallel computing, as more CPU power and memory is available. Furthermore, TOUGH2's main computational unit is a linear equation solver. In parallel computing, a lot of effort has been spent to develop highly efficient parallel linear equation solvers. In this paper, we present TOUGH2-PETSc, a parallel implementation of TOUGH2 that uses PETSc to solve the linear systems in TOUGH2. PETSc is a library of high-performance linear and non-linear equation solvers that has been throughly tested at scale. Based on TOUGH2 and PETSc, TOUGH2-PETSc gives TOUGH2 users the potential to perform larger scale and higher resolution simulations. Experimental results demonstrate that the parallel TOUGH2-PETSc shows improved performance over the sequential version.