Enabling Simulation of High-Dimensional Micro-Macro Biophysical Models through Hybrid CPU and Multi-GPU Parallelism

Abstract: Micro-macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling may require tracking and evolving a high-dimensional configuration space at high computational cost. In this work, we present a parallel algorithm for simulation a high-dimensional micro-macro model of a gliding motility assay. We utilize a holistic approach aligning the data residency and simulation scales with the hybrid CPU and multi-GPU hardware. With a combination of algorithmic modifications, GPU optimizations, and scaling to multiple GPUs, we achieve speedup factors of up to 27 over our previous hybrid CPU-GPU implementation and up to 540 over our single-threaded implementation. This approach enables micro-macro simulations of higher complexity and resolution than would otherwise be feasible.