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At least 523 records · Page 29

Evaluation of PETSc on a Heterogeneous Architecture, the OLCF Summit System: Part II - Basic Communication Performance

Nearest-neighbor communication is at the heart of many high-performance parallel computations. We report on the performance of such communication on the Oak Ridge Leadership Computing Facility system Summit in the context of the PETSc communication module. The analysis in this report includes basic Ping-Pong point-to-point communication and regular and irregular nearest-neighbor communication.

97 MATHEMATICS AND COMPUTING↗

Progress on Computational Modeling of Water-Based NSTF (FY2021)

This report documents the FY21 progress and achievements made in the computational analyses of the water-based NSTF. Both system-level and high-fidelity Computational Fluid Dynamics (CFD) analyses were performed to gain a complete understanding of the complex flow and heat transfer phenomena in natural convection systems. The progress on the waterbased NSTF experimental testing is summarized in a companion report (ANL-ART-230). As a continuation of progress from previous years, in FY21 the RELAP5 model of the NSTF was first updated to include a representative heated cavity that incorporated convection and conduction means of heat transfer. Two different cavity models were developed, one that models the radiation heat exchange among all surfaces in one enclosure (Cavity Model 1), and another that employs multiple radiation enclosures with each considering the surfaces at one axial level (Cavity Model 2). This updated RELAP5 deck was benchmarked with single-phase test data to tune form loss coefficients of the elbows and tees, along with heat transfer coefficients within the cavity and off the external insulation panels. This tuned model was then found to accurately predict fluid temperatures within 2.5% and both system and riser flow rates within 6% during single-phase, steady-state simulations. For transient simulations, there is a slight over prediction of the flow rate, fluid temperatures, and heater temperatures during the heat-up period, which indicate that the transient heat loss may be underestimated. Following, the capabilities of RELAP5-3D were examined, which feature a conduction enclosure model that is not present in the current version of RELAP5-MOD3.3 used for all previous NSTF simulations. As an initial comparison of the two codes, single-phase simulations were run that used similar input decks. The results indicate that the single-phase flow predicted by the two codes was very similar, however RELAP5-3D appears to predict a higher system flow during the two-phase transient when compared to the flow rates predicted by RELAP5-MOD3.3. Furthermore, RELAP5-3D run did not capture the density wave oscillations or geysering phenomena, which are large oscillation flow instabilities observed in the experimental facility. To further the prediction capabilities for capturing two-phase instabilities, Options 55, 57, 58, 61, which are implemented by default in RELAP5-MOD3.3 but not in RELAP5-3D, were investigated. When enabling Option 61, RELAP5-3D agrees well with MOD3.3 in predicting the total system flow, while other options have negligible effect on the predicted total system flow by RELAP5-3D. However, none of these options enables RELAP5-3D to produce the same flow instabilities. For future steps, efforts are currently underway to investigate RELAP5-3D’s different behavior in predicting low-pressure two-phase instabilities. STAR-CCM+ was used to perform CFD analysis of the water-based test facility and provide simulation results for comparisons to experimental data. Efforts first focused on describing the characteristics of flow within the heated cavity. A study was performed on whether possible leakage flow between the two sides of the cavity could substantially impact and explain the results. An additional second assumption was examined which defined adiabatic side walls, so physical insulation structures were added to the models to allow conduction across this outer insulation. The results suggest that potential porosity of the insulation could be a major factor in the temperature distribution within the cavity and should be considered in any studies where it is desirable to know the cavity wall temperatures to higher accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

White Box Access to Quantum Testbeds for Co-Design

At Lawrence Livermore National Laboratory (LLNL), we operate and maintain the Quantum Device and Integration Testbed (QuDIT) facility, a small quantum testbed that supports about 10 active research teams (including our own) and over 50 internal and external collaborators. This testbed is designed to give remote white box access to users for research, training, and outreach. A guiding principle behind the development of our testbed infrastructure, software and user interfaces is to empower users to perform experiments at the cutting edge of quantum information science at any level of abstraction, from materials studies, device physics and control and characterization techniques to algorithm development and quantum operating system design. Our testbed targets a multilevel quantum system (qudit) to expand the accessible Hilbert space of a simple-to-manufacture quantum device and focuses on quantum simulation, typically implemented through custom gates designed with quantum optimal control methods, rather than on a universal computing framework with a fixed gate set. We leverage the Lab’s high-performance computing (HPC) program and related expertise to simulate quantum systems, develop hybrid algorithms, and generate gates optimized for given simulations. Additionally, we have adopted a co-design philosophy from the HPC community in designing new hardware, so that the systems we develop are optimized for the specific physics simulations we plan to use them for.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

CApp v.1.0.0

SAND2021-6830 O Capp is a minimal package manager that supports the dependencies of one application. Its value in comparison to other package managers is its high portability across operating systems and its simplicity and usability for High Performance Computing (HPC) programmers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Ibanez, Daniel↗

GridPACK: Library Architecture and Usability Assessment

The LLNL team has carried out extensive analysis of GridPACK code, including two major code reviews (each being a 2-day event) and a vendor emulation exercise, where the team integrated GridPACK library within a third-party application. The code analysis identified a number of areas for improvement of GridPACK code architecture, but it did not find fundamental flaws in the GridPACK design. The team found the GridPACK strategy of developing a software development kit (SDK) for power systems application development to be sound and well aligned with Office of Electricity long term objectives. The SDK aims to provide power systems software vendors an easy access to high performance computing (HPC) libraries.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Radiation Hardening – Test Capabilities (LANSCE) [Slides]

The Los Alamos Neutron Science Center (LANSCE) has exceptional facilities for research and testing of radiation effects in electronics. We have the best terrestrial neutron source for sea-level and airplane-altitude environments. We have a thermal neutron test capability at the Lujan Center and a proton beam test capability at the “Blue Room”. LANL has the programmatic mission to develop this radiation-effects program, namely space and satellite environments, high-performance computing (silent data corruption), and weapons delivery systems. We have a strong connection to industry which continues to grow.

42 ENGINEERING↗

S4PST: Stewardship and Advancement for Programming Systems and Tools 2024-2025 Project Report

We present the "Stewardship and Advancement of Programming Systems and Tools" (S4PST) project report for the calendar years 2024 and 2025. S4PST is dedicated to the stewardship and advancement of Programming Systems and Tools (PST) mainly targeting high-performance computing (HPC) for the scientific community. The project is part of the funded software stewardship organizations (SSOs) selected by ASCR as part of the NGSST program, and a member of CASS: the Consortiumfor the Advancement of Scientific Software.

97 MATHEMATICS AND COMPUTING↗

GridKit

GridKit is a software development kit for interfacing power systems and power grid application software with high performance computing (HPC) libraries developed at National Labs and academia. It is also intended as interoperability layer between different numerical libraries. GridKit is not a standalone application, but comes with a suite of test examples illustrating possible usage.

Peles, Slaven↗

Dependable classical-quantum computing systems engineering

Increasing evidence suggests quantum computing (QC) complements traditional High-Performance Computing (HPC) by leveraging its unique capabilities, leading to the emergence of a new, hybrid paradigm, QHPC. However, this integration introduces new challenges, with dependability–defined by reproducibility, resiliency, and security and privacy–emerging as a central concern for building trustworthy systems that provide an advantage to the users. This paper proposes a framework for dependable QHPC system design, organized around these three pillars. We identify integration challenges, anticipate roadblocks, and highlight productive synergies across QC, HPC, cloud platforms, and network security. Drawing from both classical computing principles and quantum-specific insights, we present a roadmap for co-design that supports robust hybrid architectures. Our approach offers concrete metrics for assessing dependability, provides design guidance for engineers working at the QC-HPC interface, and surfaces new engineering questions around complexity, scale, and fault tolerance. Ultimately, designing for dependability is key to realizing practical, scalable QHPC systems and accelerating the broader quantum ecosystem capable of translating quantum promises into actual application delivery.

HPC↗

Priority-BF: A Task Manager for Priority-Based Scheduling

The increasing demand for computational resources, particularly in High-Performance Computing environments, necessitates to rethink how we handle job scheduling strategies. This work addresses the challenge of managing concurrent jobs with differing priorities on overloaded parallel systems, where strict QoS constraints are often difficult for users to define. Our solution relies on a qualitative description of priorities and pulls from two key approaches: the Easy-BF algorithm and the Conservative Backfilling algorithms. This solution improves the response time for high-priority jobs by 50% without affecting the overall system utilization. We show its applicability in several critical scenarios such as High-Performance Computing (HPC) resource management and in-situ computing.

Gainaru, Ana [ORNL]↗

HEPCloud, a New Paradigm for HEP Facilities: CMS Amazon Web Services Investigation

Historically, high energy physics computing has been performed on large purpose-built computing systems. These began as single-site compute facilities, but have evolved into the distributed computing grids used today. Recently, there has been an exponential increase in the capacity and capability of commercial clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest among the cloud providers to demonstrate the capability to perform large-scale scientific computing. In this paper, we discuss results from the CMS experiment using the Fermilab HEPCloud facility, which utilized both local Fermilab resources and virtual machines in the Amazon Web Services Elastic Compute Cloud. We discuss the planning, technical challenges, and lessons learned involved in performing physics workflows on a large-scale set of virtualized resources. Additionally, we will discuss the economics and operational efficiencies when executing workflows both in the cloud and on dedicated resources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Contrasting advantages of learning with random weights and backpropagation in non-volatile memory neural networks

Recently, a Cambrian explosion of novel, non-volatile memory (NVM) devices known as memristive devices have inspired effort in building hardware neural networks that learn like the brain. Early experimental prototypes built simple perceptrons from nanosynapses, and recently, fully-connected multi-layer perceptron (MLP) learning systems have been realized. However, while backpropagating learning systems pair well with high-precision computer memories and achieve state-of-the-art performances, this typically comes with a massive energy budget. For future Internet of Things/peripheral use cases, system energy footprint will be a major constraint, and emerging NVM devices may fill the gap by sacrificing high bit precision for lower energy. In this work, we contrast the well known MLP approach with the Extreme Learning Machine (ELM) or NoProp approach, which uses a large layer of random weights to improve the separability of high-dimensional tasks, and is usually considered inferior in a software context. However, we find that when taking device non-linearity into account, NoProp manages to equal hardware MLP system in terms of accuracy. While also using a sign-based adaptation of the delta rule for energy-savings, we find that NoProp can learn effectively with four to six ’bits’ of device analog capacity, while MLP requires eight bit capacity with the same rule. This may allow the requirements for memristive devices to be relaxed in the context of online learning. By comparing the energy footprint of these systems for several candidate nanosynapses, as well as realistic peripherals, we confirm that memristive NoProp systems save energy compared to MLP systems. Lastly, we show that ELM/NoProp systems can achieve better generalization abilities than nanosynaptic MLP systems when paired with pre-processing layers (which do not require backpropagated error). Collectively, these advantages make such systems worthy of consideration in future accelerators or embedded hardware.

97 MATHEMATICS AND COMPUTING↗

The Eastern Renewable Generation Integration Study: Insights on System Stress: Preprint

The Eastern Renewable Generation Integration Study (ERGIS) explores the operational impacts of the wide spread adoption of wind and solar photovoltaics (PV) resources in North America's Eastern and Quebec Interconnections. We explore the impact of large scale adoption of wind and solar generation on the unit commitment and economic dispatch of the largest coordinated power system in the world by simulating hourly and five-minute operations. Using NREL's high-performance computing capabilities and new methodologies to model operations, we found that the modeled system, as simulated with evolutionary change in 2026, could balance the variability and uncertainty of wind and solar PV at a five-minute level under a variety of conditions. Our simulations achieve instantaneous penetrations that exceed 50% of load while meeting an annual penetration of 30% on an energy basis. The system meets balanced load and supply in all intervals, with modest curtailment, using technologies and practices that are widely available today. However, a variety of the conditions present in these simulations deviate substantially from historical practice. In this work, we analyze potentially stressful system conditions that occur in the simulations and identify opportunities for innovation, regulatory reform, and changes in operating practices that require further analysis to enable the transition to a system with more wind and solar PV.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High-Fidelity and High-Performance Computational Simulations for Rapid Design Optimization of Sulfur Thermal Energy Storage

Industrial process heating (IPH) accounts for approximately 70% of US manufacturing energy use and is primarily produced by fossil fuel combustion. Approximately 1500 TWht (approximately 60%) of IPH demand is in the temperature range of 100-300. Industrial applications in this temperature range include drying, hydrothermal processing, thermal enhanced oil recovery, food and beverage, bioethanol production, etc. Cost-effective thermal energy storage (TES) that increases the utilization of waste and renewable heat (solar, geothermal, etc.) could provide significant energy savings and reliable heat sources, decrease emissions, and increase US manufacturing competitiveness through reductions in fuel consumption. TES development has historically been dominated by technologies suitable for deployment with concentrating solar power (CSP). State-of-the-art thermal storage deployed commercially with power tower CSP plants uses a 60%/40% NaNO3/KNO3 molten salt and operates between temperatures of approximately 280 degrees Celsius and 570 degrees Celsius using a two-tank configuration. However, these nitrate salts are unsuitable for operation outside of this temperature range due to a high freezing point of approximately 220 degrees Celsius, and limits on high-temperature salt stability and corrosion resistance of containment alloys. Other materials being investigated for TES include those based on: (1) sensible energy storage (various molten salt compositions, inert solid particles, rocks or pebble beds, sulfur, water, concrete, graphite, etc.), (2) latent energy storage in materials that undergo solid-liquid phase change at relevant temperatures (organic materials for low-temperature applications, inorganic salts and/or metals for high-temperature applications), or (3) thermochemical energy storage (hydrides, hydroxides, carbonates, metal oxides, etc.). The application temperature and challenges pertaining to storage material and/or containment cost, energy density, long-term thermal and cyclic stability, and charge/discharge heat transfer effectiveness drive material selection for a given IPH or electricity generation application. Sulfur is a cheap commodity at $80/ton compared to $1100 - 1300/ton for conventional salts. When using a metric of storage cost per kWh, sulfur costs around 2-3 $/kWh. Previous sulfur TES development focused on high temperature (>600 degrees) concentrated solar power applications with sulfur encapsulated in pipes and flow of gaseous HTF (air) in the shell side. However, for lower-temperature IPH applications in the range of approximately 100-300 degrees Celsius Element 16 adopted a compact and scalable TES design with molten sulfur in the shell and HTF pipes submerged in the molten sulfur bath. The low-cost molten sulfur TES for dispatchable IPH has deployment potential for broad applications. The spatial and temporal evolution of the HTF and sulfur temperature is critical to the TES system performance, and thus detailed modeling can improve understanding of the performance and facilitate design improvements. Using high performance computing and computational fluid dynamics (CFD) a low-cost molten sulfur thermal energy storage (TES) system for industrial process heating (IPH) applications was developed. The unique challenges in CFD modeling of sulfur TES are the sharp property changes of sulfur relevant to the working temperatures. Above 159, liquid sulfur undergoes polymerization, and the viscosity of sulfur rapidly increases by several orders of magnitude between 159 degrees Celsius and 188 degrees Celsius, followed by a decrease in viscosity beyond 188 degrees Celsius due to thermal bound dissociation. In addition, various concentrations of H2S impurities can also modify sulfur viscosity. This numerical challenge is especially relevant to transient simulation of the sulfur TES charging and discharging processes as the extreme property variations limit the applicability of traditional heat transfer correlations. Transient CFD simulations including the temperature-dependent sulfur properties and geometric complexity of the TES design were used to predict the effect of natural convection during charging and discharging on the heat transfer process, sulfur temperature uniformity, charge/discharge rates, and performance of the storage devices. The CFD model was validated with experimental results for a full charge and discharge cycle. The work will show 3D and 2D simulation comparisons aimed to facilitate rapid design iterations and a machine learning based design optimization approach.

CFD↗

RedThreads: An Interface for Application-Level Fault Detection/Correction Through Adaptive Redundant Multithreading

In the presence of accelerated fault rates, which are projected to be the norm on future exascale systems, it will become increasingly difficult for high-performance computing (HPC) applications to accomplish useful computation. Due to the fault-oblivious nature of current HPC programming paradigms and execution environments, HPC applications are insufficiently equipped to deal with errors. We believe that HPC applications should be enabled with capabilities to actively search for and correct errors in their computations. The redundant multithreading (RMT) approach offers lightweight replicated execution streams of program instructions within the context of a single application process. Furthermore, the use of complete redundancy incurs significant overhead to the application performance.

97 MATHEMATICS AND COMPUTING↗

eXascale PRogramming Environment and System Software (XPRESS)

Exascale systems, with a thousand times the compute capacity of today’s leading edge petascale computers, are expected to emerge during the next decade. Their software systems will need to facilitate the exploitation of exceptional amounts of concurrency in applications, and ensure that jobs continue to run despite the occurrence of system failures and other kinds of hard and soft errors. Adapting computations at runtime to cope with changes in the execution environment, as well as to improve power and performance characteristics, is likely to become the norm. As a result, considerable innovation is required to develop system support to meet the needs of future computing platforms. The XPRESS project aims to develop and prototype a revolutionary software system for extreme-­scale computing for both exascale and strong­scaled problems. The XPRESS collaborative research project will advance the state-­of-­the-­art in high performance computing and enable exascale computing for current and future DOE mission-­critical applications and supporting systems. The goals of the XPRESS research project are to: A. enable exascale performance capability for DOE applications, both current and future, B. develop and deliver a practical computing system software X-­stack, OpenX, for future practical DOE exascale computing systems, and C. provide programming methods and environments for effective means of expressing application and system software for portable exascale system execution.

97 MATHEMATICS AND COMPUTING↗

Characterizing Temperature, Power, and Soft-Error Behaviors in Data Center Systems: Insights, Challenges, and Opportunities

GPUs have become part of the mainstream high performance computing facilities that increasingly require more computational power to simulate physical phenomena quickly and accurately. However, GPU nodes also consume significantly more power than traditional CPU nodes, and high power consumption introduces new system operation challenges, including increased temperature, power/cooling cost, and lower system reliability. This paper explores how power consumption and temperature characteristics affect reliability, provides insights into what are the implications of such understanding, and how to exploit these insights toward predicting GPU errors using neural networks.

Nie, Bin↗