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NASA high performance computing and communications program

The National Aeronautics and Space Administration's HPCC program is part of a new Presidential initiative aimed at producing a 1000-fold increase in supercomputing speed and a 100-fold improvement in available communications capability by 1997. As more advanced technologies are developed under the HPCC program, they will be used to solve NASA's 'Grand Challenge' problems, which include improving the design and simulation of advanced aerospace vehicles, allowing people at remote locations to communicate more effectively and share information, increasing scientist's abilities to model the Earth's climate and forecast global environmental trends, and improving the development of advanced spacecraft. NASA's HPCC program is organized into three projects which are unique to the agency's mission: the Computational Aerosciences (CAS) project, the Earth and Space Sciences (ESS) project, and the Remote Exploration and Experimentation (REE) project. An additional project, the Basic Research and Human Resources (BRHR) project exists to promote long term research in computer science and engineering and to increase the pool of trained personnel in a variety of scientific disciplines. This document presents an overview of the objectives and organization of these projects as well as summaries of individual research and development programs within each project.

Holcomb, Lee↗

NASA High Performance Computing and Communications program

The National Aeronautics and Space Administration's HPCC program is part of a new Presidential initiative aimed at producing a 1000-fold increase in supercomputing speed and a 1(X)-fold improvement in available communications capability by 1997. As more advanced technologies are developed under the HPCC program, they will be used to solve NASA's 'Grand Challenge' problems, which include improving the design and simulation of advanced aerospace vehicles, allowing people at remote locations to communicate more effectively and share information, increasing scientists' abilities to model the Earth's climate and forecast global environmental trends, and improving the development of advanced spacecraft. NASA's HPCC program is organized into three projects which are unique to the agency's mission: the Computational Aerosciences (CAS) project, the Earth and Space Sciences (ESS) project, and the Remote Exploration and Experimentation (REE) project. An additional project, the Basic Research and Human Resources (BRHR) project, exists to promote long term research in computer science and engineering and to increase the pool of trained personnel in a variety of scientific disciplines. This document presents an overview of the objectives and organization of these projects, as well as summaries of early accomplishments and the significance, status, and plans for individual research and development programs within each project. Areas of emphasis include benchmarking, testbeds, software and simulation methods.

Holcomb, Lee↗

High performance real-time flight simulation at NASA Langley

In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations must be deterministic and be completed in as short a time as possible. This includes simulation mathematical model computational and data input/output to the simulators. In 1986, in response to increased demands for flight simulation performance, personnel at NASA's Langley Research Center (LaRC), working with the contractor, developed extensions to a standard input/output system to provide for high bandwidth, low latency data acquisition and distribution. The Computer Automated Measurement and Control technology (IEEE standard 595) was extended to meet the performance requirements for real-time simulation. This technology extension increased the effective bandwidth by a factor of ten and increased the performance of modules necessary for simulator communications. This technology is being used by more than 80 leading technological developers in the United States, Canada, and Europe. Included among the commercial applications of this technology are nuclear process control, power grid analysis, process monitoring, real-time simulation, and radar data acquisition. Personnel at LaRC have completed the development of the use of supercomputers for simulation mathematical model computational to support real-time flight simulation. This includes the development of a real-time operating system and the development of specialized software and hardware for the CAMAC simulator network. This work, coupled with the use of an open systems software architecture, has advanced the state of the art in real time flight simulation. The data acquisition technology innovation and experience with recent developments in this technology are described.

Cleveland, Jeff I., II↗

Processing and Managing the Kepler Mission's Treasure Trove of Stellar and Exoplanet Data

The Kepler telescope launched into orbit in March 2009, initiating NASAs first mission to discover Earth-size planets orbiting Sun-like stars. Kepler simultaneously collected data for 160,000 target stars at a time over its four-year mission, identifying over 4700 planet candidates, 2300 confirmed or validated planets, and over 2100 eclipsing binaries. While Kepler was designed to discover exoplanets, the long term, ultra- high photometric precision measurements it achieved made it a premier observational facility for stellar astrophysics, especially in the field of asteroseismology, and for variable stars, such as RR Lyraes. The Kepler Science Operations Center (SOC) was developed at NASA Ames Research Center to process the data acquired by Kepler from pixel-level calibrations all the way to identifying transiting planet signatures and subjecting them to a suite of diagnostic tests to establish or break confidence in their planetary nature. Detecting small, rocky planets transiting Sun-like stars presents a variety of daunting challenges, from achieving an unprecedented photometric precision of 20 parts per million (ppm) on 6.5-hour timescales, supporting the science operations, management, processing, and repeated reprocessing of the accumulating data stream. This paper describes how the design of the SOC meets these varied challenges, discusses the architecture of the SOC and how the SOC pipeline is operated and is run on the NAS Pleiades supercomputer, and summarizes the most important pipeline features addressing the multiple computational, image and signal processing challenges posed by Kepler.

high performance computing↗

Spectral Analysis of Integrated Pressures on Patches with Unsteady Pressure-Sensitive Paint Measurements

This paper describes the spectral analysis of integrated pressures on patches of the scale model of the Space Launch System (SLS) Block 1B crew vehicle with the Unsteady Pressure-Sensitive Paint (uPSP) measurements, which were collected in the ascent transient aerodynamics tests with the Unitary Plan Wind Tunnel 11-by-11-foot Transonic Wind Tunnel in September 2019 at NASA Ames Research Center. Recent research has demonstrated that uPSP can be an essential tool for the assessment of the unsteady, aerodynamic phenomena. The work described in this paper is a part of NASA’s development of a new state-of-the-art uPSP capability in production wind tunnels. In this paper, 108 patches are defined with x station values and azimuth angles of the scale model. For each patch, the polygons are determined from the surface cells of the grid of the model, clipped with the edges of the patch, and each of the polygons is divided into triangles. The inputs of the pressure integration algorithm are the time series of pressure coefficients on the vertices of the grid of the model, generated by the uPSP data processing program from the videos taken with 4 Phantom high-speed cameras during the wind tunnel tests. The integrated pressure of the patch is determined as the ratio of the sum of the forces on the triangles over the sum of the areas of the triangles. For each of the test cases, the Cross Power Spectral Density (CPSD) and Magnitude-Squared Coherence (msCohere) are computed for frequencies over 1/3 octave bands from the time series of the integrated pressures on the patches. The spectral analysis outputs of different cases of the wind tunnel tests are analyzed and the coherence of patches is investigated over frequencies, x station values, azimuth angles, Mach numbers and SLS vehicle attitudes. The pressure integration and spectral analysis described in this paper were executed on the NASA Pleiades supercomputer. Funding for this research was provided by the NASA Aeroscience Evaluation and Test Capabilities (AETC) Project.

Pressure-Sensitive Paint↗

Joint the Center for Applied Scientific Computing

The Center for Applied Scientific Computing serves as Livermore Lab’s window to the broader computer science, computational physics, applied mathematics, and data science research communities. In collaboration with academic, industrial, and other government laboratory partners, we conduct world-class scientific research and development on problems critical to national security. CASC applies the power of high-performance computing and the efficiency of modern computational methods to the realms of stockpile stewardship, cyber and energy security, and knowledge discovery for intelligence applications.

97 MATHEMATICS AND COMPUTING↗

Load Balancing Scientific Applications

The largest supercomputers have millions of independent processors, and concurrency levels are rapidly increasing. For ideal efficiency, developers of the simulations that run on these machines must ensure that computational work is evenly balanced among processors. Assigning work evenly is challenging because many large modern parallel codes simulate behavior of physical systems that evolve over time, and their workloads change over time. Furthermore, the cost of imbalanced load increases with scale because most large-scale scientific simulations today use a Single Program Multiple Data (SPMD) parallel programming model, and an increasing number of processors will wait for the slowest one at the synchronization points. To address load imbalance, many large-scale parallel applications use dynamic load balance algorithms to redistribute work evenly. The research objective of this dissertation is to develop methods to decide when and how to load balance the application, and to balance it effectively and affordably. We measure and evaluate the computational load of the application, and develop strategies to decide when and how to correct the imbalance. Depending on the simulation, a fast, local load balance algorithm may be suitable, or a more sophisticated and expensive algorithm may be required. We developed a model for comparison of load balance algorithms for a specific state of the simulation that enables the selection of a balancing algorithm that will minimize overall runtime.

97 MATHEMATICS AND COMPUTING↗

Applying the FAIR Principles to computational workflows

Recent trends within computational and data sciences show an increasing recognition and adoption of computational workflows as tools for productivity and reproducibility that also democratize access to platforms and processing know-how. As digital objects to be shared, discovered, and reused, computational workflows benefit from the FAIR principles, which stand for Findable, Accessible, Interoperable, and Reusable. The Workflows Community Initiative’s FAIR Workflows Working Group (WCI-FW), a global and open community of researchers and developers working with computational workflows across disciplines and domains, has systematically addressed the application of both FAIR data and software principles to computational workflows. We present recommendations with commentary that reflects our discussions and justifies our choices and adaptations. These are offered to workflow users and authors, workflow management system developers, and providers of workflow services as guidelines for adoption and fodder for discussion. The FAIR recommendations for workflows that we propose in this paper will maximize their value as research assets and facilitate their adoption by the wider community.

97 MATHEMATICS AND COMPUTING↗

Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation

As computational demands in scientific applications continue to rise, hybrid high-performance computing (HPC) systems integrating classical and quantum computers (HPC-QC) are emerging as a promising approach to tackling complex computational challenges. One critical area of application is Hamiltonian simulation, a fundamental task in quantum physics and other large-scale scientific domains. This paper investigates strategies for quantum-classical integration to enhance Hamiltonian simulation within hybrid supercomputing environments. By analyzing computational primitives in HPC allocations dedicated to these tasks, we identify key components in Hamiltonian simulation workflows that stand to benefit from quantum acceleration. To this end, we systematically break down the Hamiltonian simulation process into discrete computational phases, highlighting specific primitives that could be effectively offloaded to quantum processors for improved efficiency. Our empirical findings provide insights into system integration, potential offloading techniques, and the challenges of achieving seamless quantum-classical interoperability. We assess the feasibility of quantum-ready primitives within HPC workflows and discuss key barriers such as synchronization, data transfer latency, and algorithmic adaptability. These results contribute to the ongoing development of optimized hybrid solutions, advancing the role of quantum-enhanced computing in scientific research.

97 MATHEMATICS AND COMPUTING↗

Aviation Research and the Internet

The Internet is a network of networks. It was originally funded by the Defense Advanced Research Projects Agency or DOD/DARPA and evolved in part from the connection of supercomputer sites across the United States. The National Science Foundation (NSF) made the most of their supercomputers by connecting the sites to each other. This made the supercomputers more efficient and now allows scientists, engineers and researchers to access the supercomputers from their own labs and offices. The high speed networks that connect the NSF supercomputers form the backbone of the Internet. The World Wide Web (WWW) is a menu system. It gathers Internet resources from all over the world into a series of screens that appear on your computer. The WWW is also a distributed. The distributed system stores data information on many computers (servers). These servers can go out and get data when you ask for it. Hypermedia is the base of the WWW. One can 'click' on a section and visit other hypermedia (pages). Our approach to demonstrating the importance of aviation research through the Internet began with learning how to put pages on the Internet (on-line) ourselves. We were assigned two aviation companies; Vision Micro Systems Inc. and Innovative Aerodynamic Technologies (IAT). We developed home pages for these SBIR companies. The equipment used to create the pages were the UNIX and Macintosh machines. HTML Supertext software was used to write the pages and the Sharp JX600S scanner to scan the images. As a result, with the use of the UNIX, Macintosh, Sun, PC, and AXIL machines, we were able to present our home pages to over 800,000 visitors.

Scott, Antoinette M.↗

Report of the theory panel

The ultimate goal of this research is to develop an understanding which is sufficiently comprehensive to allow realistic predictions of the behavior of the physical systems. Theory has a central role to play in the quest for this understanding. The level of theoretical description is dependent on three constraints: (1) the available computer hardware may limit both the number and the size of physical processes the model system can describe; (2) the fact that some natural systems may only be described in a statistical manner; and (3) the fact that some natural systems may be observable only through remote sensing which is intrinsically limited by spatial resolution and line of sight integration. From this the report discusses present accomplishments and future goals of theoretical space physics. Finally, the development and use of new supercomputer is examined.

Ashourabdalla, Maha↗

How to Build a Quantum Supercomputer: Scaling from Hundreds to Millions of Qubits

In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of physical qubits and proof-of-principle error-correction on a single logical qubit. Nevertheless, despite significant progress and excitement, the path toward a full-stack scalable technology is largely unknown. There are significant outstanding quantum hardware, fabrication, software architecture, and algorithmic challenges that are either unresolved or overlooked. These issues could seriously undermine the arrival of utility-scale quantum computers for the foreseeable future. Here, we provide a comprehensive review of these scaling challenges. We show how the road to scaling could be paved by adopting existing semiconductor technology to build much higher-quality qubits, employing system engineering approaches, and performing distributed quantum computation within heterogeneous high-performance computing infrastructures. These opportunities for research and development could unlock certain promising applications, in particular, efficient quantum simulation/learning of quantum data generated by natural or engineered quantum systems. To estimate the true cost of such promises, we provide a detailed resource and sensitivity analysis for classically hard quantum chemistry calculations on surface-code error-corrected quantum computers given current, target, and desired hardware specifications based on superconducting qubits, accounting for a realistic distribution of errors. Furthermore, we argue that, to tackle industry-scale classical optimization and machine learning problems in a cost-effective manner, heterogeneous quantum-probabilistic computing with custom-designed accelerators should be considered as a complementary path toward scalability.

Mohseni, Masoud↗

Stochastic Simulation of Complex Fluid Flows (Progress Report for period 07/01/2016 - 06/30/2018)

At a microscopic scale, fluids are composed of molecules whose positions and velocities are random. This gives rise to thermal fluctuations that span the whole range of scales from the microscopic through the mesoscopic, and even the macroscopic. The inclusion of thermal fluctuations is crucial in multi-scale models, which are an important theme in the research program of the DOE Office of Science, and in particular the ASCR Applied Mathematics program's priority focus area on modeling of complex systems involving processes that span vastly different time and/or length scales. In this five-year Early Career project, the PI Aleksandar Donev and collaborators developed computational algorithms for modeling complex fluid mixtures at small scales using a formulation based on fluctuating hydrodynamics. Novel computational methods were developed to model complex fluids with increasing physical complexity, starting from binary miscible and immiscible mixtures, going through multispecies non-reactive and reactive mixtures, and culminating with reactive electrolytes mixtures of neutral molecules and ions. In close collaboration with the group of John Bell at Lawrence Berkeley National Laboratory, the methods were implemented in a scalable computational framework suitable for modern parallel supercomputers, and made publicly available on github. A number of physical examples in which giant nonequilibrium fluctuations are improtant were studied, with a special focus on instabilities at a liquid-liquid interface driven by gravity, diffusion, reactions, and/or electric fields. The methods and codes developed in this project are expected to enable other novel applications in the DOE Basic Energy Sciences program, and engineering sciences more broadly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Interface-Resolved Simulations of Reactor Flows

The presented review paper outlines the recent progress of the high-resolution single- and two-phase flow simulations of reactor-relevant flows. Rapid development of high-performance computing capabilities is creating exciting opportunities to study complex reactor thermal hydraulic phenomena. Today’s advances in thermal hydraulic analysis, machine learning techniques and interface resolved simulations will help pave the way to the next level of understanding of two-phase flow behavior in complex geometries. This paper consists of two major parts: (i) history and review of interface tracking simulations for nuclear thermal hydraulics in recent years and (ii) several opportunities to apply those advanced tools in the future. First part will discuss typical computational methods used for those simulations, provide some examples of the past work, as well as computational cost estimates and affordability of such simulations for research and industrial applications. In the second part some specific examples are discussed which could be analyzed using exascale supercomputers being designed and projected to be online in the early 2020s. New generation methodologies are required in order to take full advantage of those capabilities to greatly enhance the scientific understanding of complex two-phase flow phenomena in nuclear reactors under normal operation and postulated accident conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An Investigation of Parallel Programming Techniques Applied to Monte Carlo Simulations for Post-Flight Reconstruction of Spacecraft Trajectory

Parallelizing software to execute on multi-core central processing units (CPUs) and graphics processing units (GPUs) can be challenging. For some fields outside of Computer Science, this transition comes with new issues. For example, memory limitations can require modifications to code not initially developed to run on GPUs. This work applies the Open Multi-Processing (OpenMP) and Open Accelerators (OpenACC) directive-based parallelization strategies on a Monte Carlo simulation approach for trajectory reconstruction enabling it to run on multi-core CPUs and GPUs. Large matrix operations are the most common use of GPUs, which are not present in this algorithm; however, the natural parallelism of independent trajectories in Monte Carlo simulations is exploited. Benchmarking data are presented comparing execution times of the software for single-thread CPUs, multi-thread CPUs with OpenMP, and multi-thread GPUs using OpenACC. These data were collected using nodes with Intel® Xeon® E5-2670 (Sandy Bridge) CPUs enhanced with NVIDIA® Tesla® K40 GPUs on the Pleiades Supercomputer cluster at the National Aeronautics and Space Administration (NASA) Ames Research Center (ARC) and a local Intel® Xeon Phi™ node at NASA Langley Research Center (LaRC).

Williams, R. Anthony↗

Randomized Algorithms for Linear Solvers

Recently, randomized algorithms in numerical linear algebra, specifically those centered around random sketching, have gained traction in primarily theoretical research due to their potential to significantly reduce problem dimensionality at the cost of an O(1) multiplicative distortion factor. It has been assumed that this sketching can be done efficiently, but thorough investigation into how precisely to do it has been neglected. Moreover, the theory-based community has argued for sketching’s ability to reduce computational cost via complexity analysis, but has not researched how it affects the stability of the algorithms. At Sandia, efficient linear solvers that scale well on modern HPC architectures while maintaining stability are imperative for practical applications. In this LDRD, we developed a random sketching strategy that is substantially faster than existing ones, and demonstrate its superior performance in practice on a NVIDIA H100 GPU. Moreover, we show how this can be used to significantly outperform existing linear least squares solvers while improving the solver’s stability as well. Additionally, we demonstrate how this sketching strategy can be used to make a fast, stable QR factorization that can subsequently be used in s-step and block Krylov solvers. Finally, we incorporate a sketching-based block orthogonalization scheme into s-step GMRES, which is stable and faster than existing approaches on the Perlmutter supercomputer.

97 MATHEMATICS AND COMPUTING↗

Visioning a Global Carbon Monitoring System That Can Quantify and Attribute Ocean Carbon Dioxide Removal: Where Are We Now and How Might We Get There?

As atmospheric greenhouse gas concentrations and the resulting social costs rise, it is increasingly important to conduct research on technical approaches to remove carbon dioxide from the atmosphere at the gigaton scale. One highly uncertain but perhaps plausible solution is ocean carbon dioxide (CO2) removal (CDR), which encompasses a suite of proposed techniques for increasing the net flux of CO2 from the atmosphere to the ocean. As reflected in a 2022 National Academy of Sciences report, interest in ocean CDR is rapidly growing, and new stakeholders from a wide range of fields want access to air-sea CO2 flux and ocean carbon information to understand the potential risks and benefits of ocean CDR. Moreover, there is an urgent need for research to develop a scientific basis to support these societal needs. At the same time, there is a growing need to vision a global carbon monitoring system that can quantify natural and anthropogenic perturbations in the air-sea CO2 flux to quantify and attribute the impacts of ocean CDR efforts on the ocean carbon sink. Here, we propose to present nascent efforts at the Ames Research Center to leverage NASA's unique remote sensing and computational capabilities and expertise in basic and applied Earth science to meet the needs of the ocean CDR stakeholder community as represented by the OceanVisions network. Specifically we aim to develop a global ocean CDR scenario explorer with two objectives: 1) to make quantitative estimates of the air-sea CO2 flux and its uncertainty more accessible to a wide range of users, and 2) to enable these diverse users to interactively explore the uncertain impacts on air-sea CO2 fluxes in a wide range of ocean CDR scenarios. The information would be provided to users via a public graphical user interface, and the results would be based on a new synthesis of scientific observations and knowledge in a global ocean mixed layer inverse model run on supercomputers. The proposed tool aims to fill a unique and valuable niche for users and the scientific community by balancing tradeoffs between user interests, scientific knowledge, and technical capabilities. We will conclude by visioning the potential implications for a global carbon monitoring system in a world with gigaton scale ocean CDR.

Global↗

Numerical simulation of rotorcraft

The objective of the research is to develop and validate accurate, user-oriented viscous CFD codes (with inviscid options) for three-dimensional, unsteady aerodynamic flows about arbitrary rotorcraft configurations. Unsteady, three-dimensional Euler and Navier-Stokes codes are developed, adapted, and extended to rotor-body combinations. Flow solvers are coupled with zonal grid topologies, including rotating and nonrotating blocks. Special grid clustering and wave-fitting techniques were developed to capture low-level radiating acoustic waves. Significant progress was made in computing the propagation of acoustic waves due to the interaction of a concentrated vortex and a helicopter airfoil. The need for higher-order schemes was firmly established in relatively inexpensive two-dimensional calculations. In three dimensions, the number of grid points required to capture the low-level acoustic waves becomes very large, so that large supercomputer memory becomes essential. Good agreement was obtained between the numerical results obtained with a thin-layer Navier-Stokes code and experimental data from a model rotor. In addition, several nonrotating configurations that are sometimes proposed to simulate rotor blade tips in conventional wind tunnels were examined, and the complex flow around the radical tip shape of the world's fastest helicopter is under investigation. These studies demonstrate the flexibility and power of CFD to gain physical insight, study novel ideas, and examine various possibilities that might be difficult or impossible to set up in physical experiments. As a prelude to studies of rotor-body aerodynamic interactions, a preliminary grid topology and moving-interface strategy were developed. A new Euler/Navier-Stokes code using these techniques computes the vortical wake directly, rather than modeling it, as in most previous rotorcraft studies. Several hover cases were run for conventional and advanced-geometry blades. Numerical schemes using multi-zones and/or adaptive grids appear to be necessary to simulate the complex vortical flows in rotor wakes.

Mccroskey, William J.↗