Evolving HPC services to enable ML workloads on HPE Cray EX

The Alps Research Infrastructure leverages GH200 technology at scale, featuring 10,752 GPUs. Accessing Alps provides a significant computational advantage for researchers in Artificial Intelligence (AI) and Machine Learning (ML). While Alps serves a broad range of scientific communities, traditional HPC services alone are not sufficient to meet the dynamic needs of the ML community. This paper presents an initial investigation into extending HPC service capabilities to better support ML workloads. We identify key challenges and gaps we have observed since the early-access phase (2023) of Alps by the Swiss AI community and propose several technological enhancements. These include a user environment designed to facilitate the adoption of HPC for ML workloads, balancing performance with flexibility; a utility for rapid performance screening of ML applications during development; observability capabilities and data products for inspecting ongoing large-scale ML workloads; a utility to simplify the vetting of allocated nodes for compute readiness; a service plane infrastructure to deploy various types of workloads, including support and inference services; and a storage infrastructure tailored to the specific needs of ML workloads. These enhancements aim to facilitate the execution of ML workloads on HPC systems, increase system usability and resilience, and better align with the needs of the ML community. We also discuss our current approach to security aspects. This paper concludes by placing these proposals in the broader context of changes in the communities served by HPC infrastructure like ours.

MLPerf HPC: A Holistic Benchmark Suite for Scientific Machine Learning on HPC Systems

Scientific communities are increasingly adopting machine learning and deep learning models in their applications to accelerate scientific insights. High performance computing systems are pushing the frontiers of performance with a rich diversity of hardware resources and massive scale-out capabilities. There is a critical need to understand fair and effective benchmarking of machine learning applications that are representative of real-world scientific use cases. MLPerf is a community-driven standard to benchmark machine learning workloads, focusing on end-to-end performance metrics. In this paper, we introduce MLPerf HPC, a benchmark suite of large-scale scientific machine learning training applications driven by the MLCommons Association. We present the results from the first submission round, including a diverse set of some of the world's largest HPC systems. We develop a systematic framework for their joint analysis and compare them in terms of data staging, algorithmic convergence, and compute performance. As a result, we gain a quantitative understanding of optimizations on different subsystems such as staging and on-node loading of data, compute-unit utilization, and communication scheduling, enabling overall $>10 \times$ (end-to-end) performance improvements through system scaling. Notably, our analysis shows a scale-dependent interplay between the dataset size, a system's memory hierarchy, and training convergence that underlines the importance of near-compute storage. To overcome the data-parallel scalability challenge at large batch sizes, we discuss specific learning techniques and hybrid data-and-model parallelism that are effective on large systems. We conclude by characterizing each benchmark with respect to low-level memory, I/O, and network behavior to parameterize extended roofline performance models in future rounds.