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DOE OSTI2026

Dataset of Generative AI Workload Power Profiles

This dataset provides a collection of high-resolution (5/10 Hz or every 0.2/0.1 seconds) power consumption profiles for generative artificial intelligence (GenAI) workloads executed on NLR's High Performance Computing (HPC) platform Kestrel. The dataset also includes examples of representative whole-facility power profiles generated using a bottom-up, event-driven, data center energy model . This dataset is designed to support research in energy modeling, infrastructure planning, energy system integration, and sustainability analysis for AI-driven computing systems. The dataset captures time-resolved electrical power measurements across a diverse set of configurations, including variations in job type (inference vs. training), workload (LLM vs. image generation), datasets, and number of compute nodes. Power traces are provided in a standardized format and include both raw/instantaneous and aggregated files. Each profile is accompanied by metadata describing workload parameters, enabling reproducibility and cross-study comparison. The dataset is intended for use in applications such as data center infrastructure planning, energy modeling, demand response and grid impact studies, and development and validation of system-level simulation tools. By making these workload-specific power profiles publicly available, this dataset aims to address the current lack of open, empirical energy data for generative AI systems and to facilitate transparent, reproducible research on the energy and environmental impacts of large-scale AI deployment. If you use this dataset, please cite the associated publication: Vercellino et al., “Measurement of Generative AI Workload Power Profiles for Whole-Facility Data Center Infrastructure Planning,” arXiv:2604.07345 (2026).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Scaling Deep Learning workloads: NVIDIA DGX-1/Pascal and Intel Knights Landing

Deep Learning (DL) algorithms have become ubiquitous in data analytics. As a result, major computing vendors—including NVIDIA, Intel, AMD, and IBM—have architectural road maps influenced by DL workloads. Furthermore, several vendors have recently advertised new computing products as accelerating large DL workloads. Unfortunately, it is difficult for data scientists to quantify the potential of these different products. Here, this article provides a performance and power analysis of important DL workloads on two major parallel architectures: NVIDIA DGX-1 (eight Pascal P100 GPUs interconnected with NVLink) and Intel Knights Landing (KNL) CPUs interconnected with Intel Omni-Path or Cray Aries. Our evaluation consists of a cross section of convolutional neural net workloads: CifarNet, AlexNet, GoogLeNet, and ResNet50 topologies using the Cifar10 and ImageNet datasets. The workloads are vendor-optimized for each architecture. We use sequentially equivalent implementations to maintain iso-accuracy between parallel and sequential DL models. Our analysis indicates that although GPUs provide the highest overall performance, the gap can close for some convolutional networks; and the KNL can be competitive in performance/watt. We find that NVLink facilitates scaling efficiency on GPUs. However, its importance is heavily dependent on neural network architecture. Furthermore, for weak-scaling—sometimes encouraged by restricted GPU memory—NVLink is less important.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Characterizing Machine Learning I/O Workloads on Leadership Scale HPC Systems

High performance computing (HPC) is no longer solely limited to traditional workloads such as simulation and modeling. With the increase in the popularity of machine learning (ML) and deep learning (DL) technologies, we are observing that an increasing number of HPC users are incorporating ML methods into their workflow and scientific discovery processes, across a wide spectrum of science domains such as biology, earth science, and physics. This gives rise to a diverse set of I/O patterns than the traditional checkpoint/restart-based HPC I/O behavior. The details of the I/O characteristics of such ML I/O workloads have not been studied extensively for large-scale leadership HPC systems. This paper aims to fill that gap by providing an in-depth analysis to gain an understanding of the I/O behavior of ML I/O workloads using darshan - an I/O characterization tool designed for lightweight tracing and profiling. We study the darshan logs of more than 23, 000 HPC ML I/O jobs over a time period of one year running on Summit - the second-fastest supercomputer in the world. This paper provides a systematic I/O characterization of ML I/O jobs running on a leadership scale supercomputer to understand how the I/O behavior differs across science domains and the scale of workloads, and analyze the usage of parallel file system and burst buffer by ML I/O workloads.

Paul, Arnab↗

DOE OSTI2017

Performance analysis of emerging data analytics and HPC workloads

Supercomputers are increasingly being used to run a data analytics workload in addition to a traditional simulation science workload. This mixed workload must be rigorously characterized to ensure that appropriately balanced machines are deployed. In this paper we analyze a suite of applications representing the simulation science and data workload at the NERSC supercomputing center. We show how time is spent in application compute, library compute, communication and I/O, and present application performance on both the Intel Xeon and Intel Xeon-Phi partitions of the Cori supercomputer. We find commonality in the libraries used, I/O motifs and methods of parallelism, and obtain similar node-to-node performance for the base application configurations. We demonstrate that features of the Intel Xeon-Phi node architecture and a Burst Buffer can improve application performance, providing evidence that an exascale-era energy-efficient platform can support a mixed workload.

Daley, Christopher S.↗

DOE OSTI2019

Optimization of Workload Distribution of Data Centers Based on a Self-Learning In Situ Adaptive Tabulation Model

Data center cooling typically involves non-uniform airflow and temperature distributions, which are affected by the IT workload distribution. It is helpful to simulate the airflow and temperature to optimize the workload distribution. Traditional computational fluid dynamics (CFD) simulation is usually time-consuming while conventional reduced order models (ROMs), though computationally fast, may generate inaccurate results even after being fully trained. In Situ Adaptive Tabulation (ISAT), contracting to conventional ROM, can make prediction with error lower than a user-specified tolerance. To demonstrate using of ISAT for optimal workload distribution in data center, this paper presents a preliminary study of an ISAT-based genetic algorithm optimization platform. The ISAT is trained offline by using the results from CFD simulations using a hypothetical simple data center. The optimal workload distribution determined by the platform leads to approximately 6.8% of energy savings when compared to the benchmark with a uniform workload distribution. We note that the time cost for the entire optimization process, including the training of ISAT is about 4 hours, which is acceptable in the design phase.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Understanding I/O workload characteristics of a Peta-scale storage system

Understanding workload characteristics is critical for optimizing and improving the performance of current systems and software, and architecting new storage systems based on observed workload patterns. In this paper, we characterize the I/O workloads of scientific applications of one of the world's fastest high performance computing (HPC) storage cluster, Spider, at the Oak Ridge Leadership Computing Facility (OLCF). OLCF flagship petascale simulation platform, Titan, and other large HPC clusters, in total over 250 thousands compute cores, depend on Spider for their I/O needs. We characterize the system utilization, the demands of reads and writes, idle time, storage space utilization, and the distribution of read requests to write requests for the Peta-scale Storage Systems. From this study, we develop synthesized workloads, and we show that the read and write I/O bandwidth usage as well as the inter-arrival time of requests can be modeled as a Pareto distribution. We also study the I/O load imbalance problems using I/O performance data collected from the Spider storage system.

I/O↗

DOE OSTI2018

Evaluating On-Node GPU Interconnects for Deep Learning Workloads

Scaling deep learning workloads across multiple GPUs on a single node has become increasingly important in data analytics. A key question is how well a PCIe-based GPU interconnect can perform relative to a custom high-performance interconnect such as NVIDIA's NVLink. This paper evaluates two such on-node interconnects for eight NVIDIA Pascal P100 GPUs: (a) the NVIDIA DGX-1's NVLink 1.0 `hybrid cube mesh'; and (b) the Cirrascale GX8's two-level PCIe tree using dual SR3615 switch risers. To show the effects of a range of neural network workloads, we define a parameterized version of the popular ResNet. We define a workload intensity metric that characterizes the expected computation/communication ratio; we also locate AlexNet and GoogLeNet within that space. As expected, the DGX-1 typically has superior performance. However, when equalizing GPU SM frequencies, the GX8 is very competitive on all ResNet workloads. With 8 GPUs, the GX8 can outperform the DGX-1 on all-to-all reductions by 10% for medium-sized payloads; and in rare cases, the GX8 slightly outperforms on ResNet.

Tallent, Nathan R.↗

DOE OSTI2012

Modern Palliative Radiation Treatment: Do Complexity and Workload Contribute to Medical Errors?

Purpose: To examine whether treatment workload and complexity associated with palliative radiation therapy contribute to medical errors. Methods and Materials: In the setting of a large academic health sciences center, patient scheduling and record and verification systems were used to identify patients starting radiation therapy. All records of radiation treatment courses delivered during a 3-month period were retrieved and divided into radical and palliative intent. 'Same day consultation, planning and treatment' was used as a proxy for workload and 'previous treatment' and 'multiple sites' as surrogates for complexity. In addition, all planning and treatment discrepancies (errors and 'near-misses') recorded during the same time frame were reviewed and analyzed. Results: There were 365 new patients treated with 485 courses of palliative radiation therapy. Of those patients, 128 (35%) were same-day consultation, simulation, and treatment patients; 166 (45%) patients had previous treatment; and 94 (26%) patients had treatment to multiple sites. Four near-misses and 4 errors occurred during the audit period, giving an error per course rate of 0.82%. In comparison, there were 10 near-misses and 5 errors associated with 1100 courses of radical treatment during the audit period. This translated into an error rate of 0.45% per course. An association was found between workload and complexity and increased palliative therapy error rates. Conclusions: Increased complexity and workload may have an impact on palliative radiation treatment discrepancies. This information may help guide the necessary recommendations for process improvement for patients who require palliative radiation therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2025

The water use of data center workloads: A review and assessment of key determinants

The global importance of data center water use is increasing with the rapid growth of digitalization and artificial intelligence. This study analyzes the factors influencing workload-level water use, measured in liters consumed per workload, to guide water-saving strategies in data centers. Our findings reveal workload-level water use variations exceeding 10,000-fold, driven by over 1000-fold differences in water consumption per kilowatt hour of server electricity consumed and approximately 10-fold differences in server workload efficiency. Key determinants are ranked as server efficiency, electrical grid water consumption factors, server utilization, cooling system type, infrastructure efficiency, climate zone, inactive server percentage, and server refresh cycle. Notably, there is no single recipe for minimizing water use; instead, optimal outcomes depend on tailored combinations of these factors. This analysis addresses critical knowledge gaps by identifying the determinants of data center water use and exploring their achievable minima under diverse site-specific constraints.

Data centers↗

DOE OSTI2020

Indicator-directed Dynamic Power Management for Iterative Workloads on GPU-Accelerated Systems

Modern high-performance and warehouse computing centers show strong interest in minimizing system power consumption while satisfying customers’ quality of service (QoS). Dynamic voltage and frequency scaling (DVFS) is effective for achieving this goal. Nevertheless, automating the process online and making it transparent to users must address three major challenges: (1) Complexity — today’s hardware components (e.g., CPUs, GPUs, memory, network, etc.) can be configured in several or dozens of frequency/voltage states for satisfying divergent system demands. Given their combination and the emergence of heterogeneity, searching the optimal configuration in the design space online can be timing consuming. (2) QoS guarantee — user-defined objectives such as power constraint and performance target must be monitored, predicted and ensured at the best effort. (3) Adaptability — various known and unknown workloads run on systems. Workloads characteristics should be quickly determined and configurations dynamically adjusted in accord with workloads and QoS. In this work, we focus on applications exhibiting an interesting feature – iterative or periodic, which is common among conventional HPC and emerging machine learning workloads. We propose an online dynamic power-performance (ODPP) management framework to dynamically adjust GPU DVFS configurations to meet performance and power objectives and constraints, without any code annotation or intrusion. Particularly, ODPP extracts the performance and power indicators for applications from their resources utilization profiles in a short episode. It further automatically constructs an accurate model that infers from the indicators how the application's performance and power vary with GPU core and memory frequencies. Aided with the model, for both seen and unseen applications, ODPP can quickly determine the most appropriate DVFS configuration for their execution. We evaluate ODPP on an NVIDIA GPU using multiple exascale computing (ECP) and deep learning applications.

Zou, Pengfei↗

DOE OSTI2021

Parallel I/O Evaluation Techniques and Emerging HPC Workloads: A Perspective

Emerging workloads such as artificial intelligence, big data analytics and complex multi-step workflows alongside future exascale applications are anticipated future HPC workloads, which will result in a more diverse I/O system workload and even less predictable I/O behavior and access patterns. Along with the ever increasing gap between the compute and storage performance capabilities, the in-depth understanding of extreme-scale I/O behavior and the I/O performance modeling and prediction are essential tools of the large-scale I/O evaluation process for addressing the needs of extreme-scale hybrid workloads. In this survey article, we focus on the state-of-the-art of the I/O behavior and performance analysis process for HPC systems in a 5-year time window and identify future research challenges.

Neuwirth, Sarah↗

DOE OSTI2012

An analysis of computational workloads for the ORNL Jaguar system. In: ICS '12 Proceedings of the 26th ACM international conference on Supercomputing

This study presents an analysis of science application workloads for the Jaguar Cray XT5 system during its tenure as a 2.3 petaflop supercomputer at Oak Ridge National Laboratory. Jaguar was the first petascale system to be deployed for open science and has been one of the world's top three supercomputers for six releases of the TOP500 list. Its workload is investigated here as a representative of the growing worldwide install base of petascale systems and also as a foreshadowing of science workloads to be expected for future systems. The study considers characteristics of the Jaguar workload such as resource utilization, typical job characteristics, most heavily used applications, application scaling and application usage patterns. Implications of these findings are considered for current petascale workflows and for exascale systems to be deployed later this decade.

Joubert, Wayne↗

DOE OSTI2012

An Analysis of Computational Workloads on the Jaguar Cray XT System

Joubert, Wayne↗

DOE OSTI2019

Exploring the Psychometrics of Common Post-Scenario Human Factors Questionnaires of Workload, Situation Awareness, and Perceived Difficulty

Abstract: The United States (U.S.) Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program has the primary mission of sustaining operation of the existing commercial nuclear power plants (NPPs) through a multi-pathway approach in conducting research and development (R&D). In this effort, the role of human factors engineering (HFE) has been an integral in ensuring new digital upgrades that are part of the overall main control room modernization strategy for various U.S. NPPs optimize human-system performance and do not introduce new human failure modes. In this process, testing and evaluation of concept (i.e., prototype) human machine interfaces (HMIs) are done in operator-in-the-loop studies at various stages of the HFE modification process, such as during design and verification and validation (V&V) [1]. During these studies, licensed operators go through select scenarios using a testbed, such as a full-scale simulator or at a NPP’s training simulator, to identify potential usability issues and provide general design feedback regarding the new digital HMIs. Human-system performance is measured and evaluated through a range of objective and self-report measures that capture aspects of plant performance, task performance, workload, situation awareness, and anthropometric and ergonomic concerns [2]. The use of post-scenario questionnaires is an acceptable method for gathering measures of workload and situation awareness. To this end, the NASA-Task Load Index (TLX) [e.g., 3, 4, & 5] and Situation Awareness Rating Technique (SART) [e.g., 6 & 7] are common standardized questionnaires used for evaluating workload and situation awareness, respectively. When combined, these questionnaires consist of a total of 15 questions, each using a different rating scale. Debriefs are also done through interviews with operators to gather design insight after each scenario. Since operator- and training simulator-time is limited, a concern during this post-scenario period of operator-in-the-loop studies is the limited time available to run scenarios, administer post-scenario questionnaires, and debrief within the allotted simulator time. To address this potential problem, this paper explores the psychometric characteristics of NASA-TLX, SART, and a common one-question post-scenario usability questionnaire (i.e., the single ease question – SEQ [8]) in effort to inform future development of a condensed questionnaire that captures aspects of workload and situation awareness. This exploratory work uses data from four different operator-in-the-loop studies completed under prior LWRS operator-in-the-loop studies. Findings from this paper should support future development of a consolidated questionnaire that may be used in operator-in-the-loop studies, when time is compressed, that conforms to the HFE scientific and regulatory requirements set for NPP control room modernization.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2014

Hopper Workload Analysis

The National Energy Research Scientific Computing (NERSC) Center is the primary computing facility for the United States Department of Energy, Office of Science. With over 5,000 users and over 600 different applications utilizing NERSC systems, it is critically important to examine the workload running on NERSCs large supercomputers in order to procure systems that perform well for a broad workload. In this paper we show the breakdown of the NERSC workload by science area, algorithm, memory, thread usage and more. We also describe the methods used to collect data from NERSCs Hopper (Cray XE6) system.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Checkpoint/Restart Vision and Strategies for NERSC’s Production Workloads

As a primary approach to fault-tolerant computing, Checkpoint/Restart (C/R) improves scientific productivity for users, provides scheduling flexibility for computing centers, and protects against system failures. While both applicationspecific (or application-level) and transparent C/R are used in practice, we are interested in transparent checkpointing, which is vital for system-level checkpointing. Developing and maintaining transparent C/R tools for HPC applications, however, is labor intensive and highly complex due to ever-changing HPC systems and diverse production workloads. Existing C/R tools are often research-oriented, so there is a gap to close before they can be used reliably with production workloads, especially on cutting edge HPC systems. In this position paper, we present our journey to prepare a production-ready MPI-Agnostic Network-Agnostic (MANA) transparent checkpointing tool for NERSC, and share our vision and strategies to bring transparent C/R capabilities to NERSC’s production workloads on current and future systems.

42 ENGINEERING↗

DOE OSTI2016

Integration Of PanDA Workload Management System With Supercomputers for ATLAS and Data Intensive Science

The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe, and were recently credited for the discovery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 150 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. While PanDA currently uses more than 250,000 cores with a peak performance of 0.3 petaFLOPS, LHC data taking runs require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Computing Facility (OLCF), MIRA supercomputer at Argonne Leadership Computing Facilities (ALCF), Supercomputer at the National Research Center Kurchatov Institute , IT4 in Ostrava and others). Current approach utilizes modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single threaded workloads in parallel on LCFs multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms for ALICE and ATLAS experiments and it is in full production for the ATLAS experiment since September 2015. We will present our current accomplishments with running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

Data-intensive science↗

DOE OSTI2019

Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures

We advocate domain-specific virtual processors (DSVP) as a portability layer for expressing and executing domain-specific computational workloads on modern heterogeneous HPC architectures, with applications in quantum chemistry. Specifically, in this article we extend, generalize and better formalize the concept of a domain-specific virtual processor as applied to scientific high-performance computing. In particular, we introduce a system-wide recursive (hierarchical) hardware encapsulation mechanism into the DSVP architecture and specify a concrete microarchitectural design of an abstract DSVP from which specialized DSVP implementations can be derived for specific scientific domains. Furthermore, we demonstrate, an example of a domain-specific virtual processor specialized to numerical tensor algebra workloads, which is implemented in the ExaTENSOR library developed by the author with a primary focus on the quantum many-body computational workloads on large-scale GPU-accelerated HPC platforms.

97 MATHEMATICS AND COMPUTING↗