耦合溶质运移和化学反应模拟的并行优化

An Approach on Parallel Simulation of Coupled Solute Transport and Geochemical Reaction

针对TOUGHREACT程序在耦合溶质运移和化学反应计算过程中,计算规模和时间需求的不断增加导致求解规模逐渐增大的问题,提出了用耦合过程并行化对耦合模拟过程进行改进的方法.该方法改进了原有的程序结构,实现了化学反应计算并行化.实验结果表明,改进后的耦合计算部分在执行时间上有2～3倍的加速效果.

TOUGHREACT is a simulator for non-isothermal multi-phase reactive geochemical transport in saturated geologic media,In recent years,there has been an increasingly need in application of field-scale simulation,which leads to intensive computational efforts.In order to scale up the simulation model and improve the performance of the simulator,the authors analyzed the mathematical model of coupled simulation and executed time proportion;designed a parallel computing scheme of numerical simulation on coupled reaction;re-organized the structure of coupled simulation program.Experiments on distribute memory computing nodes show 2-3 times speed-up in simulation time.