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A Framework for Integrating Quantum Simulation and High Performance Computing

Scientific applications are starting to explore the viability of quantum computing. This exploration typically begins with quantum simulations that can run on existing classical platforms, albeit without the performance advantages of real quantum resources. In the context of high-performance computing (HPC), the incorporation of simulation software can often take advantage of the powerful resources to help scale-up the simulation size. The configuration, installation and operation of these quantum simulation packages on HPC resources can often be rather daunting and increases friction for experimentation by scientific application developers. We describe a framework to help streamline access to quantum simulation software running on HPC resources. This includes an interface for circuit-based quantum computing tasks, as well as the necessary resource management infrastructure to make effective use of the underlying HPC resources. The primary contributions of this work include a classification of different usage models for quantum simulation in an HPC context, a review of the software architecture for our approach and a detailed description of the prototype implementation to experiment with these ideas using two different simulators (TNQVM & NWQ-Sim). We include initial experimental results running on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) using a synthetic workload generated via the SupermarQ quantum benchmarking framework.

Shehata, Amir [ORNL] (ORCID:0000000224531426)

A vector unsymmetric eigenequation solver for nonlinear flutter analysis on high-performance computers

A finite element approach is presented for determining the nonlinear flutter characteristics of composite panels using unsteady, third-order piston theory aerodynamics. Both nonlinear structural (large-amplitude) and nonlinear aerodynamics terms are considered in the finite element formulation. Solution procedures are presented to solve the nonlinear panel flutter and the large-amplitude free vibration finite element equations. Nonlinear aerodynamic and linear structural finite element flutter results for composite panels are also presented. An efficient, vector-version generalized unsymmetric eigenequation solver is developed for large-amplitude vibration and nonlinear panel flutter analyses on high-performance computers.

Qin, Jiangning

Scale-up Unlearnable Examples Learning with High-performance Computing

Recent advancements in AI models, like ChatGPT, are structured to retain user interactions, which could inadvertently include sensitive healthcare data. In the healthcare field, particularly when radiologists use AI-driven diagnostic tools hosted on online platforms, there is a risk that medical imaging data may be repurposed for future AI training without explicit consent, spotlighting critical privacy and intellectual property concerns around healthcare data usage. Addressing these privacy challenges, a novel approach known as Unlearnable Examples (UEs) has been introduced, aiming to make data unlearnable to deep learning models. A prominent method within this area, called Unlearnable Clustering (UC), has shown improved UE performance with larger batch sizes but was previously limited by computational resources (e.g., a single workstation). To push the boundaries of UE performance with theoretically unlimited resources, we scaled up UC learning across various datasets using Distributed Data Parallel (DDP) training on the Summit supercomputer. Our goal was to examine UE efficacy at high-performance computing (HPC) levels to prevent unauthorized learning and enhance data security, particularly exploring the impact of batch size on UE’s unlearnability. Utilizing the robust computational capabilities of the Summit, extensive experiments were conducted on diverse datasets such as Pets, MedMNist, Flowers, and Flowers102. Our findings reveal that both overly large and overly small batch sizes can lead to performance instability and affect accuracy. However, the relationship between batch size and unlearnability varied across datasets, highlighting the necessity for tailored batch size strategies to achieve optimal data protection. The use of Summit’s high-performance GPUs, along with the efficiency of the DDP framework, facilitated rapid updates of model parameters and consistent training across nodes. Our results underscore the critical role of selecting appropriate batch sizes based on the specific characteristics of each dataset to prevent learning and ensure data security in deep learning applications. The source code is publicly available at https: // github. com/ hrlblab/ UE_ HPC .

Zhu, Yanfan [Vanderbilt University, Nashville, TN,

US Department of Energy, Office of Science, High-Performance Computing Facility 2024 Operational Assessment Oak Ridge Leadership Computing Facility

The Oak Ridge Leadership Computing Facility (OLCF) was established to accelerate scientific discovery by providing world-leading computational performance and advanced data infrastructure to the US Department of Energy (DOE) computing community. As a DOE Office of Science user facility, the OLCF has managed the successful deployment and operation of a succession of leadership-class resources dedicated to open science. In addition to these resources, the OLCF staff continually strive to develop innovative processes and technologies, improve security, and empower users through effective allocation management and comprehensive user support and training. These efforts support the advancement of science by the OLCF users and benefit high-performance computing (HPC) facilities around the world.

97 MATHEMATICS AND COMPUTING

High performance computing applications in neurobiological research

The human nervous system is a massively parallel processor of information. The vast numbers of neurons, synapses and circuits is daunting to those seeking to understand the neural basis of consciousness and intellect. Pervading obstacles are lack of knowledge of the detailed, three-dimensional (3-D) organization of even a simple neural system and the paucity of large scale, biologically relevant computer simulations. We use high performance graphics workstations and supercomputers to study the 3-D organization of gravity sensors as a prototype architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scale-up, three-dimensional versions run on the Cray Y-MP and CM5 supercomputers.

Ross, Muriel D.

Multidisciplinary Design Optimization of a Full Vehicle with High Performance Computing

Multidisciplinary design optimization (MDO) of a full vehicle under the constraints of crashworthiness, NVH (Noise, Vibration and Harshness), durability, and other performance attributes is one of the imperative goals for automotive industry. However, it is often infeasible due to the lack of computational resources, robust simulation capabilities, and efficient optimization methodologies. This paper intends to move closer towards that goal by using parallel computers for the intensive computation and combining different approximations for dissimilar analyses in the MDO process. The MDO process presented in this paper is an extension of the previous work reported by Sobieski et al. In addition to the roof crush, two full vehicle crash modes are added: full frontal impact and 50% frontal offset crash. Instead of using an adaptive polynomial response surface method, this paper employs a DOE/RSM method for exploring the design space and constructing highly nonlinear crash functions. Two NMO strategies are used and results are compared. This paper demonstrates that with high performance computing, a conventionally intractable real world full vehicle multidisciplinary optimization problem considering all performance attributes with large number of design variables become feasible.

Yang, R. J.

RISC Processors and High Performance Computing

In this tutorial, we will discuss top five current RISC microprocessors: The IBM Power2, which is used in the IBM RS6000/590 workstation and in the IBM SP2 parallel supercomputer, the DEC Alpha, which is in the DEC Alpha workstation and in the Cray T3D; the MIPS R8000, which is used in the SGI Power Challenge; the HP PA-RISC 7100, which is used in the HP 700 series workstations and in the Convex Exemplar; and the Cray proprietary processor, which is used in the new Cray J916. The architecture of these microprocessors will first be presented. The effective performance of these processors will then be compared, both by citing standard benchmarks and also in the context of implementing a real applications. In the process, different programming models such as data parallel (CM Fortran and HPF) and message passing (PVM and MPI) will be introduced and compared. The latest NAS Parallel Benchmark (NPB) absolute performance and performance per dollar figures will be presented. The next generation of the NP13 will also be described. The tutorial will conclude with a discussion of general trends in the field of high performance computing, including likely future developments in hardware and software technology, and the relative roles of vector supercomputers tightly coupled parallel computers, and clusters of workstations. This tutorial will provide a unique cross-machine comparison not available elsewhere.

Saini, Subhash

Image Processor Electronics (IPE): The High-Performance Computing System for NASA SWIFT Mission

Gamma Ray Bursts (GRBs) are believed to be the most powerful explosions that have occurred in the Universe since the Big Bang and are a mystery to the scientific community. Swift, a NASA mission that includes international participation, was designed and built in preparation for a 2003 launch to help to determine the origin of Gamma Ray Bursts. Locating the position in the sky where a burst originates requires intensive computing, because the duration of a GRB can range between a few milliseconds up to approximately a minute. The instrument data system must constantly accept multiple images representing large regions of the sky that are generated by sixteen gamma ray detectors operating in parallel. It then must process the received images very quickly in order to determine the existence of possible gamma ray bursts and their locations. The high-performance instrument data computing system that accomplishes this is called the Image Processor Electronics (IPE). The IPE was designed, built and tested by NASA Goddard Space Flight Center (GSFC) in order to meet these challenging requirements. The IPE is a small size, low power and high performing computing system for space applications. This paper addresses the system implementation and the system hardware architecture of the IPE. The paper concludes with the IPE system performance that was measured during end-to-end system testing.

Nguyen, Quang H.

A Unifying Framework to Enable Artificial Intelligence in High-Performance Computing Workflows

Current trends point to a future where large-scale scientific applications are tightly coupled high-performance computing/artificial intelligence (HPC/AI) hybrids. Hence, we urgently need to invest in creating a seamless, scalable framework where HPC and AI/machine learning can efficiently work together and adapt to novel hardware and vendor libraries without starting from scratch every few years. Finally, the current ecosystem and sparsely connected community are not sufficient to tackle these challenges, and we require a breakthrough catalyst for science similar to what PyTorch enabled for AI.

high-performance computing

Portability Support for High Performance Computing

While a large number of tools have been developed to support application portability, high performance application developers often prefer to use vendor-provided, non-portable programming interfaces. This phenomena indicates the mismatch between user priorities and tool capabilities. This paper summarizes the results of a user survey and a developer survey. The user survey has revealed the user priorities and resulted in three criteria for evaluating tool support for portability. The developer survey has resulted in the evaluation of portability support and indicated the possibilities and difficulties of improvements.

Cheng, Doreen Y.

Investigating the Mobility of Light Autonomous Tracked Vehicles using a High Performance Computing Simulation Capability

This paper is concerned with the physics-based simulation of light tracked vehicles operating on rough deformable terrain. The focus is on small autonomous vehicles, which weigh less than 100 lb and move on deformable and rough terrain that is feature rich and no longer representable using a continuum approach. A scenario of interest is, for instance, the simulation of a reconnaissance mission for a high mobility lightweight robot where objects such as a boulder or a ditch that could otherwise be considered small for a truck or tank, become major obstacles that can impede the mobility of the light autonomous vehicle and negatively impact the success of its mission. Analyzing and gauging the mobility and performance of these light vehicles is accomplished through a modeling and simulation capability called Chrono::Engine. Chrono::Engine relies on parallel execution on Graphics Processing Unit (GPU) cards.

tracked vehicles

High-Performance Computing for the Electromagnetic Modeling and Simulation of Interconnects

The electromagnetic modeling of packages and interconnects plays a very important role in the design of high-speed digital circuits, and is most efficiently performed by using computer-aided design algorithms. In recent years, packaging has become a critical area in the design of high-speed communication systems and fast computers, and the importance of the software support for their development has increased accordingly. Throughout this project, our efforts have focused on the development of modeling and simulation techniques and algorithms that permit the fast computation of the electrical parameters of interconnects and the efficient simulation of their electrical performance.

Schutt-Aine, Jose E.

Client/Server data serving for high performance computing

This paper will attempt to examine the industry requirements for shared network data storage and sustained high speed (10's to 100's to thousands of megabytes per second) network data serving via the NFS and FTP protocol suite. It will discuss the current structural and architectural impediments to achieving these sorts of data rates cost effectively today on many general purpose servers and will describe and architecture and resulting product family that addresses these problems. The sustained performance levels that were achieved in the lab will be shown as well as a discussion of early customer experiences utilizing both the HIPPI-IP and ATM OC3-IP network interfaces.

Wood, Chris

A High-Performance Computing Predictive GNSS Performance Monitor for Autonomous Air Vehicles in Urban Environments

This report offers analysis and design insights for leveraging High-Performance Computing (HPC) to predict line-of-sight (LOS) Global Navigation Satellite System (GNSS) availability in a city. This work is motivated by the emerging fields of Advanced and Urban Air Mobility (AAM/UAM), where regulatory authorities are seeking city-scale, meter-resolution risk forecasting in order to safely integrate new flight missions with existing urban life and infrastructure. This work addresses the technical challenge of efficiently computing urban GNSS satellite visibility to predict GNSS performance metrics under these requirements. We present a new HPC-optimized shadow casting algorithm variant as a ray-based approach to forecasting satellite visibility. We apply this algorithm variant in a software-defined prognostic service which generates a GNSS navigation risk-correlated map as a path planning-style potential field. We detail dominant computational burdens, viable simplifying assumptions, and different algorithmic implementations, intending to demonstrate a baseline of computation time needed by each stage in such a service. We conclude by analyzing the prototype service’s prediction accuracy compared to receiver data from Corpus Christi, Texas. This informs design trade-offs along the dimensions of hardware, computation time, and tolerable forecasting error (including proportions of false positives and false negatives).

GNSS