The parallel multi-physics phase-field framework Pace3D

Abstract

The phase-field method has been established for the numerical investigation of various microstructure evolution processes. The accurate description of these complex processes requires large domains and suitable models, allowing to couple several physical fields in statistical representative volume elements. To simplify the implementation of new models and to reduce the simulation run time, different frameworks have been developed. In this work, the parallel multi-physics phase-field framework Pace3D is introduced. The general structure of the solver, its modules and the parallelization are described. For increasing the performance of the implemented phase-field models, various optimization techniques are outlined. To efficiently store the simulation results, different data formats and parallel writing mechanisms are presented. The performance of an optimized implementation for a specific phase-field model is analyzed on a single core, showing a good peak performance. For a single node, the memory bandwidth is analyzed and ruled out as possible bottleneck. In addition, a proper weak scaling behavior is demonstrated on the three supercomputers ForHLR I, ForHLR II and Hazel Hen, for up to 96 100 cores.