Overcoming Orchestration Bottlenecks at Exascale: A Decentralized, Policy-Driven Approach for Sim-AI Ensembles

Abstract

Scientific computing is increasingly shifting from monolithic applications to coupled simulation-AI workflows composed of highly heterogeneous tasks with diverse hardware, scale, and runtime requirements. As these workflows scale to leadership-class systems, the resulting extreme ensemble sizes and task variability can create orchestration bottlenecks. System-level schedulers are often configured for limited throughput, while workflow tools face scalability issues due to rigid control-plane topologies and static scheduling heuristics. We introduce EnsembleLauncher, a recursively hierarchical workflow orchestrator for exascale systems, featuring a fully decentralized control plane and a programmable scheduling policy interface. On the Aurora supercomputer, EnsembleLauncher successfully scales to the entire machine with up to eight million serial tasks, outperforming state-of-the-art tools by more than four times. Additionally, we implement a programmable scheduling interface and demonstrate a significant impact of scheduling policies on resource utilization for high-variance ensembles and active learning pipelines representative of modern coupled simulation-AI workflows.