I/O performance is crucial to efficiency in data-intensive scientific computing; but tuning large-scale storage systems is complex, costly, and notoriously manpower-intensive, making it inaccessible for most domain scientists. To address this problem, we propose STELLAR, an autonomous tuner for high-performance parallel file systems. Our evaluations show that STELLAR almost always selects near-optimal configurations for the parallel file systems within the first five attempts, even for previously unseen applications. STELLAR’s human-like efficiency is fundamentally different from existing autotuning methods, which often require hundreds of thousands of iterations to converge. STELLAR achieves this through autonomous end-to-end agentic tuning. Powered by large language models (LLMs), STELLAR is capable of (1) accurately extracting tunable parameters from software manuals, (2) analyzing I/O trace logs generated by applications, (3) selecting initial tuning strategies, (4) rerunning applications on real systems and collecting I/O performance feedback, (5) adjusting tuning strategies and repeating the tuning cycle, and (6) reflecting on and summarizing tuning experiences into reusable knowledge for future optimizations. STELLAR integrates retrieval-augmented generation (RAG), external tool execution, LLM-based reasoning, and a multiagent design to stabilize reasoning and combat hallucinations. We evaluate how each of these components impacts optimization outcomes, thus providing insight into the design of similar systems for other optimization problems. STELLAR’s architecture and empirical validation open new avenues for tackling complex system optimization challenges, especially those characterized by vast search spaces and high exploration costs. Its highly efficient autonomous tuning will broaden access to I/O performance optimizations for domain scientists with minimal additional resource investment.

In situ analysis and visualization have grown increasingly popular for enabling direct access to data from high-performance computing (HPC) simulations. As a simulation progresses and interesting physical phenomena emerge, however, the data produced may become increasingly complex, and users may need to dynamically change the type and scale of in situ analysis tasks being carried out and consequently adapt the amount of resources allocated to such tasks. To date, none of the production in situ analysis frameworks offer such an elasticity feature, and for good reason: the assumption that the number of processes could vary during run time would force developers to rethink software and algorithms at every level of the in situ analysis stack. In this paper we present Colza, a data staging service with elastic in situ visualization capabilities. Colza relies on the widely used ParaView Catalyst in situ visualization framework and enables elasticity by replacing MPI with a custom collective communication library based on the Mochi suite of libraries. To the best of our knowledge, this work is the first to enable elastic in situ visualization capabilities for HPC applications on top of existing production analysis tools.

Microservices are a powerful new way of building, customizing, and deploying distributed services owing to their flexibility and maintainability. Several large-scale distributed platforms have emerged to serve the growing needs of data-centric workloads and services in commercial computing. Concurrently, high-performance computing (HPC) systems and software are rapidly evolving to meet the demands of diversified applications and heterogeneity. The interplay of hardware factors, software configuration parameters, and the flexibility offered with a microservice architecture makes it nontrivial to estimate the optimal service instantiation for a given application workload. Further, this problem is exacerbated when considering that these services operate in a dynamic and heterogeneous HPC environment. An optimally integrated service can be vastly more performant than a haphazardly integrated one. Existing performance tools for HPC either fail to understand the request-response model of communication inherent to microservices or they operate within a narrow scope, limiting the insight that can be gleaned from employing them in isolation.We propose a methodology for integrated performance analysis of HPC microservices frameworks and applications called SYMBIOSYS. We describe its design and implementation within the context of the Mochi framework. This integration is achieved by combining distributed callpath profiling and tracing with a performance data exchange strategy that collects fine-grained, low-level metrics from the RPC communication library and network layers. The result is a portable, low-overhead performance analysis setup that provides a holistic profile of the dependencies among microservices and how they interact with the Mochi RPC software stack. Using HEPnOS, a production-quality Mochi data service, we demonstrate the low-overhead operation of SYMBIOSYS at scale and use it to identify the root causes of poorly performing service configurations.

Scientific applications frequently spend a large fraction of their execution time in reading and writing data on parallel file systems. Identifying these I/O performance bottlenecks and attributing root causes are critical steps toward devising optimization strategies. Several existing studies analyze I/O logs of a set of benchmarks or applications that were run with controlled behaviors. However, there is still a lack of general approach that systematically identifies I/O performance bottlenecks for applications running "in the wild" on production systems. In this study, we have developed an analysis approach of "zooming in" from platform-wide to application-wide to job-level I/O logs for identifying I/O bottlenecks in arbitrary scientific applications. We analyze the logs collected on a Cray XC40 system in production over a two-month period. This study results in several insights for application developers to use in optimizing I/O behavior.

Supervised learning is a promising approach for modeling the performance of applications running on large HPC systems. A key assumption in supervised learning is that the training and testing data are obtained under the same conditions. However, in production HPC systems these conditions might not hold because the conditions of the platform can change over time as a result of hardware degradation, hardware replacement, software upgrade, and configuration updates. These changes could alter the data distribution in a way that affects the accuracy of the predictive performance models and render them less useful; this phenomenon is referred to as concept drift. Ignoring concept drift can lead to suboptimal resource usage and decreased efficiency when those performance models are deployed for tuning and job scheduling in production systems. To address this issue, we propose a concept-drift-aware predictive modeling approach that comprises two components: (1) an online Bayesian changepoint detection method that can automatically identify the location of events that lead to concept drift in near-real time and (2) a moment-matching transformation inspired by transfer learning that converts the training data collected before the drift to be useful for retraining.

Storage system performance modeling is crucial for efficient use of heterogeneous shared resources on leadership-class computers. Variability in application performance, particularly variability arising from concurrent applications sharing I/O resources, is a major hurdle in the development of accurate performance models. We adopt a deep learning approach based on conditional variational auto encoders (CVAE) for I/O performance modeling, and use it to quantify performance variability. We illustrate our approach using the data collected on Edison, a production supercomputing system at the National Energy Research Scientific Computing Center (NERSC). The CVAE approach is investigated by comparing it to a previously proposed sensitivity-based Gaussian process (GP) model. We find that the CVAE model performs slightly better than the GP model in cases where training and testing data come from different applications, since CVAE can inherently leverage the whole data from multiple applications whereas GP partitions the data and builds separate models for each partition. Hence, the CVAE offers an alternative modeling approach that does not need pre-processing; it has enough flexibility to handle data from a wide variety of applications without changing the inference approach.

The following topics are dealt with: parallel processing; message passing; parallel machines; application program interfaces; multiprocessing systems; resource allocation; scheduling; cache storage; data analysis; graphics processing units.

HPC systems have shifted to burst buffer storage and high radix interconnect topologies in order to meet the challenges of large-scale, data-intensive scientific computing. Both of these technologies have been studied in detail independently, but the interaction between them is not well understood. I/O traffic and communication traffic from concurrently scheduled applications may interfere with each other in unexpected ways, and this behavior may vary considerably depending on resource allocation, scheduling, and routing policies. In this work, we analyze I/O and network traffic interference on burst-buffer-equipped dragonfly-based systems using the high-resolution packet-level simulations provided by the CODES storage and interconnect simulation framework. The analysis is performed using realistic I/O workload sizes, a variety of resource allocation and network routing strategies employed in production environments, and a dragonfly network configuration modeled after current vendor options. We analyze the impact of interference on both I/O and communication traffic. We observe that although average network packet latency is stable across a wide variety of configurations, the maximum network packet latency in the presence of concurrent I/O traffic is highly sensitive to subtle policy changes. Our simulations reveal a worst-case single packet latency of 4,700 times the average latency for sub-optimal configurations. While a topology-aware mapping of compute nodes to burst buffer storage nodes can minimize the variation in maximum packet latency, it can slow down the I/O traffic by creating contention on the burst buffer nodes. Overall, balancing I/O and network performance requires careful selection of routing, data placement, and job placement policies.

Today's rapid development of supercomputers has caused I/O performance to become a major performance bottleneck for many scientific applications. Trace analysis tools have thus become vital for diagnosing root causes of I/O problems. This work contributes an I/O tracing framework with (a) techniques to gather a set of lossless, elastic I/O trace files for small number of nodes, (b) a mathematical model to analyze trace data and extrapolate it to larger number of nodes, and (c) a replay engine for the extrapolated trace file to verify its accuracy. The traces can in principle be extrapolated even beyond the scale of presentday systems and provide a test if applications scale in terms of I/O. We conducted our experiments on three platforms: a commodity Linux cluster, an IBM BG/Q system, and a discrete event simulation of an IBM BG/P system. We investigate a combination of synthetic benchmarks on all platforms as well as a production scientific application on the BG/Q system. The extrapolated I/O trace replays closely resemble the I/O behavior of equivalent applications in all cases.

Storage resources in high-performance computing are shared across all user applications. Consequently, storage performance can vary markedly, depending not only on an application's workload but also on what other activity is concurrently running across the system. This variability in storage performance is directly reflected in overall execution time variability, thus confounding efforts to predict job performance for scheduling or capacity planning. I/O variability also complicates the seemingly straightforward process of performance measurement when evaluating application optimizations. In this work we present a methodology to measure I/O contention with more rigor than in prior work. We apply statistical techniques to gain insight from application-level statistics and storage-side logging. We examine different correlation metrics for relating system workload to job I/O performance and identify an effective and generally applicable metric for measuring job I/O performance. We further demonstrate that the system-wide monitoring granularity can directly affect the strength of correlation observed. Insufficient granularity and measurements can hide the correlations between application I/O performance and system-wide I/O activity.