基于Parareal的皮肤输运数值模拟
Numerical simulation of skin transport using Parareal
摘要：
皮肤渗透的计算机模拟研究是一个重要的，但也需要计算的问题。要解决所有涉及的尺度的全部细节，不仅需要exascale计算能力，而且还需要合适的并行算法。本文研究了时间并行Parareal算法对砖和砂浆装置的适用性，这是皮肤渗透的一个附加问题。实现Parareal的C++库Lib4PrM与UG4仿真框架相结合，提供了空间离散化和并行化。该组合的性能进行了研究方面的收敛性和加速比。它被证实，在域中的各向异性和跳跃扩散系数Parareal的收敛只有很小的影响。由于空间求解器以及时空弱缩放所需的迭代次数的差异，负载不平衡的影响进行了讨论。
英文摘要：
In-silico investigation of skin permeation is an important but also computationally demanding problem. To resolve all scales involved in full detail will not only require exascale computing capacities but also suitable parallel algorithms. This article investigates the applicability of the time-parallel Parareal algorithm to a brick and mortar setup, a precursory problem to skin permeation. The C++ library Lib4PrM implementing Parareal is combined with the UG4 simulation framework, which provides the spatial discretization and parallelization. The combination's performance is studied with respect to convergence and speedup. It is confirmed that anisotropies in the domain and jumps in diffusion coefficients only have a minor impact on Parareal's convergence. The influence of load imbalances in time due to differences in number of iterations required by the spatial solver as well as spatio-temporal weak scaling is discussed.
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