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Assessing and Advancing the Potential of Quantum Computing: A NASA Case Study

Quantum computing is one of the most enticing computational paradigms with the potential to revolutionize diverse areas of future-generation computational systems. While quantum computing hardware has advanced rapidly, from tiny laboratory experiments to quantum chips that can outperform even the largest supercomputers on specialized computational tasks, these noisy- intermediate scale quantum (NISQ) processors are still too small and non-robust to be directly useful for any real-world applications. In this paper, we describe NASA’s work in assessing and advancing the potential of quantum computing. We discuss advances in algorithms, both near- and longer-term, and the results of our explorations on current hardware as well as with simulations, including illustrating the benefits of algorithm-hardware codesign in the NISQ era. This work also includes physics-inspired classical algorithms that can be used at application scale today. We discuss innovative tools supporting the assessment and advancement of quantum computing, and describe improved methods for simulating quantum systems of various types on high performance computing systems that incorporate realistic error models. We provide an overview of recent methods for benchmarking, evaluating, and characterizing quantum hardware for error mitigation, computational purposes.

quantum computing

ChemComp: A Compilation Framework for Computing with Chemical Reaction Networks

The acceleration of scientific computation, data analytics, and artificial intelligence is driving a surge in computational requirements. Yet, state-of-the-art high-performance computing systems are approaching physical limitations that impede further significant improvements in energy efficiency. As we move towards post-exascale computing systems, innovative approaches are necessary to overcome this barrier in power consumption. Novel analog and hybrid digital-analog architectures hold promise for enhancing energy efficiency by several orders of magnitude. Biochemical computation stands out among the various solutions being explored due to its potential to enable new classes of devices with immense computational capabilities. These devices can capitalize on the inherent efficacy of biological cells in solving optimization problems and are scalable through increasing reaction system size or vessel capacity, potentially satisfying scientific computing's high-performance requirements. Nonetheless, several theoretical and practical limitations persist, including problem formulation and mapping to chemical reaction networks (CRNs) and implementation of actual CRN devices. In this paper, we propose a framework for biochemical computation using systems chemistry. We present the initial components of our approach: an abstract chemical reaction dialect implemented as a multi-level intermediate representation (MLIR) compiler extension and a pathway to represent mathematical problems with CRNs. To showcase the potential of this approach, we emulate a simplified chemical reservoir device. This work lays the groundwork for leveraging chemistry's computing potential in creating energy-efficient, high-performance computing systems tailored to contemporary computational needs.

artificial intelligence

Gaussian approximation versus nearly exact performance analysis of optical communication systems with PPM signaling and APD receivers

A 25-Mb/s direct-detection optical communication system that used Q = 4 PPM (pulse-position modulation) signaling was constructed and its performance measured under laboratory conditions. The system used a single-mode AlGaAs laser diode (lambda = 834 nm) and low-noise silicon avalanche photodiode (APD). A procedure for numerically computing system performance is given that uses the nearly exact Webb approximation of the true Conradi distribution for the APD output and does not require excessive amounts of computer time. Comparison revealed that modeling the APD ouptut as a Gaussian process under conditions of negligible background radiation and low (less than 10 to the -12 A) APD bulk leakage currents leads to substantial underestimates of optimal APD gain and overestimates of system bit error probability. Examples illustrate the breakdown of the Gaussian approximation in assessing system performance. The measured performance was in excellent agreement with that predicted by the computational procedure. The system achieved a bit error probability of 10 to the -6 at a received signal energy, corresponding to an average of 60 absorbed photons/bit and optimal APD gain of 700.

Davidson, Frederic M.

Closed-form solutions of performability

It is noted that if computing system performance is degradable then system evaluation must deal simultaneously with aspects of both performance and reliability. One approach is the evaluation of a system's performability which, relative to a specified performance variable Y, generally requires solution of the probability distribution function of Y. The feasibility of closed-form solutions of performability when Y is continuous are examined. In particular, the modeling of a degradable buffer/multiprocessor system is considered whose performance Y is the (normalized) average throughput rate realized during a bounded interval of time. Employing an approximate decomposition of the model, it is shown that a closed-form solution can indeed be obtained.

Meyer, J. F.

An Integrated Architecture for Onboard Spacecraft

As increasingly complex scientific and environmental observation spacecraft are deployed, the burden on the downlink assets, and ground-based systems complexity and cost is becoming a major problem. Already, the limitations of communications bandwidth and processing throughput limit the science data gathering, both in volume and in rate. This poses a dilemma to the scientist experimenter forcing choices between data collection and bandwidth/processing/archiving. Advances in ground based processing and space-to-Earth links have fallen behind the requirements for observation data, at increasing rates, over the last few decades. As NASA achieves its 40th anniversary, the ability to observe and capture phenomena of theoretical and practical interest to life on Earth far outstrips the ability to transfer, process, or store these data. NASA recognizes the need to invest on technological advancements that will enable both the space and ground systems to address the limitations. Spacecraft onboard computing power is a clear one. The capability of creating data products onboard the spacecraft adds a new level of flexibility to address the more demanding observation needs. Current spacecraft computing power is limited and incapable of addressing the needs of the new generation of observation satellites because extensive onboard data processing is required. Traditional spacecraft architectures only collect, package, and transmit to Earth the data acquired by multiple instruments. Conversely, the experience on developing ground data systems shows the need for high performance computing systems to process and create information from the instrumentation data. The expectation is that supercomputing technology is required to enable spacecraft to create information onboard. Moving supercomputing capability onboard spacecraft requires an approach that considers an integrated data architecture. Otherwise, it may simply convert a compute-bound problem into a communications bound problem, as has been shown numerous times in the context of massively parallel architectures. What is left to determine are the technologies that will enable spacecraft high performance computing.

Figueiredo, Marco A.

Benchmarking and Performance of the NASA Multiscale Analysis Tool

The NASA Multiscale Analysis Tool (NASMAT) is as a “plug and play,” software package which utilizes multiscale recursive micromechanics as a platform for massively multiscale modeling of hierarchical materials and structures subjected to thermomechanical. This paper is intended to give an overview of the design of NASMAT and how the design supports modularity, upgradability and maintainability, interoperability, and utility. First, the software architecture and hierarchy will be explored. Details on each of the 11 NASMAT procedures and the arrangement of NASMAT data will be presented. Application program interfaces (APIs) that were developed to facilitate the communication of NASMAT with other programs will be described. The intended application for NASMAT is massively multiscale modeling on high performance computing systems. As such, results benchmarking the performance of the integration of NASMAT with the Abaqus commercial finite element method software are also presented.

Multiscale Modeling

High-performance computing for flight vehicles; Proceedings of the Symposium, Washington, Dec. 7-9, 1992

The present conference discusses high-performance computing systems for flight vehicles, large-scale simulations on high-performance flight computers and software, multidisciplinary and design/optimization applications of computers, computational electromagnetics and acoustics, the simulation of aircraft powerplant turbomachinery and reacting flows, and flow calculations on parallel machines. Also discussed are direct flow simulation Monte Carlo methods, structural mechanics sensitivity and fracture calculations on parallel machines, grid-generation and advanced algorithms for CFD, advanced solid-mechanics and structures applications, and advancements in flow visualization technology and neural networks.

Noor, Ahmed K.

Developing Information Power Grid Based Algorithms and Software

This exploratory study initiated our effort to understand performance modeling on parallel systems. The basic goal of performance modeling is to understand and predict the performance of a computer program or set of programs on a computer system. Performance modeling has numerous applications, including evaluation of algorithms, optimization of code implementations, parallel library development, comparison of system architectures, parallel system design, and procurement of new systems. Our work lays the basis for the construction of parallel libraries that allow for the reconstruction of application codes on several distinct architectures so as to assure performance portability. Following our strategy, once the requirements of applications are well understood, one can then construct a library in a layered fashion. The top level of this library will consist of architecture-independent geometric, numerical, and symbolic algorithms that are needed by the sample of applications. These routines should be written in a language that is portable across the targeted architectures.

Dongarra, Jack

Distributed Accounting on the Grid

By the late 1990s, the Internet was adequately equipped to move vast amounts of data between HPC (High Performance Computing) systems, and efforts were initiated to link together the national infrastructure of high performance computational and data storage resources together into a general computational utility 'grid', analogous to the national electrical power grid infrastructure. The purpose of the Computational grid is to provide dependable, consistent, pervasive, and inexpensive access to computational resources for the computing community in the form of a computing utility. This paper presents a fully distributed view of Grid usage accounting and a methodology for allocating Grid computational resources for use on a Grid computing system.

Thigpen, William

Next Generation Space Telescope Integrated Science Module Data System

The Data system for the Next Generation Space Telescope (NGST) Integrated Science Module (ISIM) is the primary data interface between the spacecraft, telescope, and science instrument systems. This poster includes block diagrams of the ISIM data system and its components derived during the pre-phase A Yardstick feasibility study. The poster details the hardware and software components used to acquire and process science data for the Yardstick instrument compliment, and depicts the baseline external interfaces to science instruments and other systems. This baseline data system is a fully redundant, high performance computing system. Each redundant computer contains three 150 MHz power PC processors. All processors execute a commercially available real time multi-tasking operating system supporting, preemptive multi-tasking, file management and network interfaces. These six processors in the system are networked together. The spacecraft interface baseline is an extension of the network, which links the six processors. The final selection for Processor busses, processor chips, network interfaces, and high-speed data interfaces will be made during mid 2002.

Schnurr, Richard G.

Preliminary Study on Fine-Grained Power and Energy Measurements on Grace Hopper GH200 with Open-Source Performance Tools

The increasing adoption of tightly integrated, heterogeneous architectures, combined with the slowdown of Moore’s law, has made application power and energy-driven optimizations critical to efficiently use high-performance computing systems. This paper introduces a newly developed open-source toolkit that seamlessly integrates the Linux real-time hardware monitoring program hwmon with the Performance Application Programming Interface and the Score-P performance measurement system, thereby enabling fine-grained power and energy measurements for high-performance computing applications. Our primary target platform is the Wombat test bed, which is a system based on the NVIDIA GH200 superchip. The toolkit can capture transient power peaks with high temporal resolution (50 ms) and, thanks to Score-P integration, can map power metrics to specific code regions, thereby providing actionable information on power-intensive operations and inefficiencies. The toolkit also provides a holistic view of both the power and the energy consumption of the entire GH200 superchip by covering all major components: the Grace CPU, the Hopper GPU, and the I/O subsystem. Experiments that use Locally Self-consistent Multiple Scattering, which is an application for first-principles calculations of materials developed at Oak Ridge National Laboratory, have demonstrated the tool’s ability to identify transient power spikes and uncover opportunities for energy-aware optimizations. Additionally, we introduce a Python-based utility for converting Open Trace Format 2 traces to Parquet format, thus enabling advanced data analysis for numerical integration methods applied to power data for accurate energy profiling.

Hernandez Mendoza, Oscar [ORNL] (ORCID:00000002538

High performance flight simulation at NASA Langley

The use of real-time simulation at the NASA facility is reviewed specifically with regard to hardware, software, and the use of a fiberoptic-based digital simulation network. The network hardware includes supercomputers that support 32- and 64-bit scalar, vector, and parallel processing technologies. The software include drivers, real-time supervisors, and routines for site-configuration management and scheduling. Performance specifications include: (1) benchmark solution at 165 sec for a single CPU; (2) a transfer rate of 24 million bits/s; and (3) time-critical system responsiveness of less than 35 msec. Simulation applications include the Differential Maneuvering Simulator, Transport Systems Research Vehicle simulations, and the Visual Motion Simulator. NASA is shown to be in the final stages of developing a high-performance computing system for the real-time simulation of complex high-performance aircraft.

Cleveland, Jeff I., II

Implementing Journaling in a Linux Shared Disk File System

In computer systems today, speed and responsiveness is often determined by network and storage subsystem performance. Faster, more scalable networking interfaces like Fibre Channel and Gigabit Ethernet provide the scaffolding from which higher performance computer systems implementations may be constructed, but new thinking is required about how machines interact with network-enabled storage devices. In this paper we describe how we implemented journaling in the Global File System (GFS), a shared-disk, cluster file system for Linux. Our previous three papers on GFS at the Mass Storage Symposium discussed our first three GFS implementations, their performance, and the lessons learned. Our fourth paper describes, appropriately enough, the evolution of GFS version 3 to version 4, which supports journaling and recovery from client failures. In addition, GFS scalability tests extending to 8 machines accessing 8 4-disk enclosures were conducted: these tests showed good scaling. We describe the GFS cluster infrastructure, which is necessary for proper recovery from machine and disk failures in a collection of machines sharing disks using GFS. Finally, we discuss the suitability of Linux for handling the big data requirements of supercomputing centers.

Preslan, Kenneth W.

Providing Thermal Stability for an Exascale Supercomputer: A Case Study of Frontier's Cooling System

High performance computing (HPC) systems frequently produce large dynamic power swings, even under typical operating conditions, that can present a significant challenge for their direct-liquid cooling systems. Further, the primary cooling loops that must remove this waste heat have response times measured in minutes while the underlying HPC component thermal stress is measured in seconds. The per-socket power demand for both compute processing units (CPUs) and graphic processing units ( GPUs) continues to increase with each successive generation while case temperatures are declining. New HPC systems are expected to exacerbate the challenge of these dynamic power swings and the impact on effective and timely cooling systems. This paper describes the cooling and controls system for Oak Ridge National Laboratory’s Frontier Supercomputer, the first sustained exascale system, as a case study for this situation. The cooling and control system for Frontier demonstrates specific success, but with a number of trade-offs and decisions that suggest further design and operating optimizations for the community at large to consider.

42 ENGINEERING

Optical communication with semiconductor laser diodes

A 25 megabit/sec direct detection optical communication system that used Q=4 PPM signalling was constructed and its performance measured under laboratory conditions. The system used a single-mode AlGaAs laser diode transmitter and low noise silicon avalanche photodiode (APD) photodetector. Comparison of measured performance with the theoretical revealed that modeling the APD output as a Gaussian process under conditions of negligible background radiation and low (less than 10 to the -12 power A) APD bulk leakage currents leads to substantial underestimates of optimal APD gain to use and overestimates of system bit error probability. A procedure is given to numerically compute system performance which uses the more accurate Webb's Approximation of the exact Conradi distribution for the APD ouput signal that does not require excessive amounts of computer time (a few minutes of VAX 8600 CPU time per system operating point). Examples are given which illustrate the breakdown of the Gaussian approximation in assessing system performance. This system achieved a bit error probability of 10 to the -6 power at a received signal energy corresponding to an average of 60 absorbed photons/bit and optimal APD gain of 700.

Davidson, F.

Parallelization of NAS Benchmarks for Shared Memory Multiprocessors

This paper presents our experiences of parallelizing the sequential implementation of NAS benchmarks using compiler directives on SGI Origin2000 distributed shared memory (DSM) system. Porting existing applications to new high performance parallel and distributed computing platforms is a challenging task. Ideally, a user develops a sequential version of the application, leaving the task of porting to new generations of high performance computing systems to parallelization tools and compilers. Due to the simplicity of programming shared-memory multiprocessors, compiler developers have provided various facilities to allow the users to exploit parallelism. Native compilers on SGI Origin2000 support multiprocessing directives to allow users to exploit loop-level parallelism in their programs. Additionally, supporting tools can accomplish this process automatically and present the results of parallelization to the users. We experimented with these compiler directives and supporting tools by parallelizing sequential implementation of NAS benchmarks. Results reported in this paper indicate that with minimal effort, the performance gain is comparable with the hand-parallelized, carefully optimized, message-passing implementations of the same benchmarks.

Waheed, Abdul