Application of a parallel 3-dimensional hydrogeochemistry HPF code to a proposed waste disposal site at the oak ridge national laboratory

摘要

The objectives of this study are (1) parallelize a 3-dimensional hydrogeochemistry code and (2) to apply the parallel code to a proposed waste disposal site at the Oak Ridege National Labroatory (ORNL). The 2-dimensional hydrogeochemistry code HYDROGEOCHEM, deveooped at the Pennsylvania State University for coupled subsurface solute transport and chemical equilibrium processes, was first modified to accommodate 3-dimensional problem domains. A bi-conjugate gradient stabilized linear matrix solver was then incorporated to solve the matrix equation. We chose to parallelize the 3-dimensional code on the Intel Paragons at ORNL by using an HPF (high performance FORTRAN) compiler developed at PGI. The data-and task-parallel algorithms available in the HPF compiler proved to be highly efficient for t he geochemistry calculation.