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At least 127 records · Page 7

On the Use of CAD and Cartesian Methods for Aerodynamic Optimization

The objective for this paper is to present the development of an optimization capability for Curt3D, a Cartesian inviscid-flow analysis package. We present the construction of a new optimization framework and we focus on the following issues: 1) Component-based geometry parameterization approach using parametric-CAD models and CAPRI. A novel geometry server is introduced that addresses the issue of parallel efficiency while only sparingly consuming CAD resources; 2) The use of genetic and gradient-based algorithms for three-dimensional aerodynamic design problems. The influence of noise on the optimization methods is studied. Our goal is to create a responsive and automated framework that efficiently identifies design modifications that result in substantial performance improvements. In addition, we examine the architectural issues associated with the deployment of a CAD-based approach in a heterogeneous parallel computing environment that contains both CAD workstations and dedicated compute engines. We demonstrate the effectiveness of the framework for a design problem that features topology changes and complex geometry.

Nemec, M.

On the Use of Parmetric-CAD Systems and Cartesian Methods for Aerodynamic Design

Automated, high-fidelity tools for aerodynamic design face critical issues in attempting to optimize real-life geometry arid in permitting radical design changes. Success in these areas promises not only significantly shorter design- cycle times, but also superior and unconventional designs. To address these issues, we investigate the use of a parmetric-CAD system in conjunction with an embedded-boundary Cartesian method. Our goal is to combine the modeling capabilities of feature-based CAD with the robustness and flexibility of component-based Cartesian volume-mesh generation for complex geometry problems. We present the development of an automated optimization frame-work with a focus on the deployment of such a CAD-based design approach in a heterogeneous parallel computing environment.

Nemec, Marian

ExaWorks software development kit: a robust and scalable collection of interoperable workflows technologies

Scientific discovery increasingly requires executing heterogeneous scientific workflows on high-performance computing (HPC) platforms. Heterogeneous workflows contain different types of tasks (e.g., simulation, analysis, and learning) that need to be mapped, scheduled, and launched on different computing. That requires a software stack that enables users to code their workflows and automate resource management and workflow execution. Currently, there are many workflow technologies with diverse levels of robustness and capabilities, and users face difficult choices of software that can effectively and efficiently support their use cases on HPC machines, especially when considering the latest exascale platforms. We contributed to addressing this issue by developing the ExaWorks Software Development Kit (SDK). The SDK is a curated collection of workflow technologies engineered following current best practices and specifically designed to work on HPC platforms. We present our experience with (1) curating those technologies, (2) integrating them to provide users with new capabilities, (3) developing a continuous integration platform to test the SDK on DOE HPC platforms, (4) designing a dashboard to publish the results of those tests, and (5) devising an innovative documentation platform to help users to use those technologies. Our experience details the requirements and the best practices needed to curate workflow technologies, and it also serves as a blueprint for the capabilities and services that DOE will have to offer to support a variety of scientific heterogeneous workflows on the newly available exascale HPC platforms.

97 MATHEMATICS AND COMPUTING

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability

IRIS-MEMFLOW: Data Flow-Enabled Portable Memory Orchestration in IRIS Runtime for Diverse Heterogeneity

Task-based programming models and execution paradigms provide a means to decompose a computation by expressing it as a graph in which each node represents a specific computation operating on memory objects and the edges define the dependencies in the execution flow. In this execution model, independent nodes in the graph can be executed concurrently in different computing devices, making it suitable for heterogeneous systems in which computing devices with different architectures coexist. However, careful memory orchestration across heterogeneous devices is needed because copies of the same memory object may reside in multiple devices during execution. Manually ensuring such an orchestration is quite challenging. Not only must an application developer guard against race conditions, but they must also optimize data movement between the host and devices because unnecessary data movement significantly impacts performance. To mitigate these challenges, we enhance the IRIS heterogeneous runtime and introduce IRIS-MEMFLOW–a data flow–enabled portable memory abstraction for seamlessly orchestrating memory in diverse heterogeneous computing environments. By using data-flow analysis, IRIS-MEMFLOW guards against race conditions while multiple heterogeneous devices access memory objects. IRIS-MEMFLOW also optimizes data movement between the host and devices without manual intervention. As a result, IRIS provides improved programming productivity, performance, and portability for multidevice heterogeneous executions in high-performance computing and cloud systems that run diverse architectures from different vendors. The efficacy of IRIS-MEMFLOW is evaluated through experiments that show its capability in terms of programming productivity, multidevice heterogeneity, portability, and low overhead versus the state of the art.

Monil, M. A. H. [ORNL] (ORCID:0000000334194037)

System for Performing Single Query Searches of Heterogeneous and Dispersed Databases

The present invention is a distributed computer system of heterogeneous databases joined in an information grid and configured with an Application Programming Interface hardware which includes a search engine component for performing user-structured queries on multiple heterogeneous databases in real time. This invention reduces overhead associated with the impedance mismatch that commonly occurs in heterogeneous database queries.

Maluf, David A.

A Knowledge Graph Framework for Organizing Heterogeneous Datasets for Utilization in Classical and Quantum Computing: Current Challenges and Future Directions

"The escalating impact of climate change induced extreme weather events in urban, suburban, and rural environments demands a rethink of how we have been using the single event-based or use-case-based knowledge graph models. The lack of representation in interaction within environmental variables found in literature led to the development of a novel framework that reflects the true nature of the interconnectedness in our environment. We propose an Environmental Interaction Knowledge Graph (EIKG) framework. This general EIKG framework works as the basis for interconnected environmental events by knitting interrelated events such as hurricanes leading to storm surges, which lead to flood events that could cause mudslides, landslides, etc., The cascading nature of one event leading to another related event in the environment requires an adequate understanding of each event using contextual information before conducting any data-driven analytics. This vision paper showcases how the EIKG:floods, EIKG:wildfire EIKG:landslides, etc, can be derived from a base case framework of EIKG as those individual events are interconnected with some common denominator variables. As an example, the precipitation variable is used in the flood case study as well as in the wildfire case study, as excessive precipitation levels lead to floods, and lack of precipitation leads to droughts and wildfires. We identify the precipitation variable as a “common-denominator-variable” in extreme weather events that play a key role in modeling the environment leading to different extreme weather events based on the variability of that variable (varying values where low precipitation leads to drought, and high values lead to floods). We use the insights gained from EIKG to conduct classical and Quantum Machine Learning (QML) based data analysis on the research questions developed. Our preliminary study shows how the Variational Quantum Classifier (VQC) and Quantum Support Vector Classifier (QSVC) are used along with the classical machine learning models to compare the model accuracies. Our study elaborates on how a quantitative analysis uses state-of-the-art machine learning techniques that include implementing both classical and quantum machine learning models and developing the knowledge graph. The EIKG is used to organize heterogeneous datasets and integrate the relations to case-specific extreme weather events such as floods. The study uses datasets such as county-to-country residential mobility data, socioeconomic datasets from the US Census Bureau, climate and weather-related Earth Observational data from NASA, and critical infrastructure data from the Homeland Infrastructure datasets."

Knowledge Graphs, Quantum Computing, Heterogenous

Concerning the relationship between evapotranspiration and soil moisture

The relationship between the evapotranspiration and soil moisture during the drying, supply-limited phase is studied. A second scaling parameter, based on the evapotranspirational supply and demand concept of Federer (1982), is defined; the parameter, referred to as the threshold evapotranspiration, occurs in vegetation-covered surfaces just before leaf stomata close and when surface tension restricts moisture release from bare soil pores. A simple model for evapotranspiration is proposed. The effects of natural soil heterogeneities on evapotranspiration computed from the model are investigated. It is observed that the natural variability in soil moisture, caused by the heterogeneities, alters the relationship between regional evapotranspiration and the area average soil moisture.

Wetzel, Peter J.

Measuring the effects of heterogeneity on distributed systems

Distributed computer systems in daily use are becoming more and more heterogeneous. Currently, much of the design and analysis studies of such systems assume homogeneity. This assumption of homogeneity has been mainly driven by the resulting simplicity in modeling and analysis. A simulation study is presented which investigated the effects of heterogeneity on scheduling algorithms for hard real time distributed systems. In contrast to previous results which indicate that random scheduling may be as good as a more complex scheduler, this algorithm is shown to be consistently better than a random scheduler. This conclusion is more prevalent at high workloads as well as at high levels of heterogeneity.

El-Toweissy, Mohamed

Scale Dependence of Cirrus Horizontal Heterogeneity Effects on TOA Measurements: MODIS Brightness Temperatures in the Thermal Infrared - Part I

This paper presents a study on the impact of cirrus cloud heterogeneities on MODIS simulated thermal infrared (TIR) brightness temperatures (BTs) at the top of the atmosphere (TOA) as a function of spatial resolution from 50 meters to 10 kilometers. A realistic 3-D (three-dimensional) cirrus field is generated by the 3DCLOUD model (average optical thickness of 1.4, cloudtop and base altitudes at 10 and 12 kilometers, respectively, consisting of aggregate column crystals of D (sub eff) equals 20 microns), and 3-D thermal infrared radiative transfer (RT) is simulated with the 3DMCPOL (3-D Monte Carlo Polarized) code. According to previous studies, differences between 3-D BT computed from a heterogenous pixel and 1-D (one-dimensional) RT computed from a homogeneous pixel are considered dependent at nadir on two effects: (i) the optical thickness horizontal heterogeneity leading to the plane-parallel homogeneous bias (PPHB); and the (ii) horizontal radiative transport (HRT) leading to the independent pixel approximation error (IPAE). A single but realistic cirrus case is simulated and, as expected, the PPHB mainly impacts the low-spatial resolution results (above approximately 250 meters), with averaged values of up to 5-7 K (thousand), while the IPAE mainly impacts the high-spatial resolution results (below approximately 250 meters) with average values of up to 1-2 K (thousand). A sensitivity study has been performed in order to extend these results to various cirrus optical thicknesses and heterogeneities by sampling the cirrus in several ranges of parameters. For four optical thickness classes and four optical heterogeneity classes, we have found that, for nadir observations, the spatial resolution at which the combination of PPHB and HRT effects is the smallest, falls between 100 and 250 meters. These spatial resolutions thus appear to be the best choice to retrieve cirrus optical properties with the smallest cloud heterogeneity-related total bias in the thermal infrared. For off-nadir observations, the average total effect is increased and the minimum is shifted to coarser spatial resolutions.

TOA

CHARM-SYCL & IRIS: A Tool Chain for Performance Portability on Extremely Heterogeneous Systems

Performance portability is becoming crucial as high-performance computing systems become increasingly heterogeneous. We have many options for CPUs and accelerators (e.g., GPUs) but also for non-Von Neumann architectures such as field-programmable gate arrays. This paper presents the CHARM-SYCL unified programming environment for multiple accelerator types as a performance-portable programming environment. It uses the IRIS library developed at Oak Ridge National Laboratory as the back end accelerator runtime. IRIS has a high-performance scheduler to distribute tasks across accelerators. This design allows us to run an application from the same source on multiple systems with multiple configurations. We provide three types of portability with CHARM-SYCL: Portable Workflow, Compiler and Runtime Portability, and Application and Performance Portability. We implement a Monte Carlo simulation benchmark code on the CHARM-SYCL execution environment and demonstrate that our programming environment can accommodate extremely heterogeneous systems.

Fujita, Norihisa

Information Power Grid: Distributed High-Performance Computing and Large-Scale Data Management for Science and Engineering

We use the term "Grid" to refer to distributed, high performance computing and data handling infrastructure that incorporates geographically and organizationally dispersed, heterogeneous resources that are persistent and supported. This infrastructure includes: (1) Tools for constructing collaborative, application oriented Problem Solving Environments / Frameworks (the primary user interfaces for Grids); (2) Programming environments, tools, and services providing various approaches for building applications that use aggregated computing and storage resources, and federated data sources; (3) Comprehensive and consistent set of location independent tools and services for accessing and managing dynamic collections of widely distributed resources: heterogeneous computing systems, storage systems, real-time data sources and instruments, human collaborators, and communications systems; (4) Operational infrastructure including management tools for distributed systems and distributed resources, user services, accounting and auditing, strong and location independent user authentication and authorization, and overall system security services The vision for NASA's Information Power Grid - a computing and data Grid - is that it will provide significant new capabilities to scientists and engineers by facilitating routine construction of information based problem solving environments / frameworks. Such Grids will knit together widely distributed computing, data, instrument, and human resources into just-in-time systems that can address complex and large-scale computing and data analysis problems. Examples of these problems include: (1) Coupled, multidisciplinary simulations too large for single systems (e.g., multi-component NPSS turbomachine simulation); (2) Use of widely distributed, federated data archives (e.g., simultaneous access to metrological, topological, aircraft performance, and flight path scheduling databases supporting a National Air Space Simulation systems}; (3) Coupling large-scale computing and data systems to scientific and engineering instruments (e.g., realtime interaction with experiments through real-time data analysis and interpretation presented to the experimentalist in ways that allow direct interaction with the experiment (instead of just with instrument control); (5) Highly interactive, augmented reality and virtual reality remote collaborations (e.g., Ames / Boeing Remote Help Desk providing field maintenance use of coupled video and NDI to a remote, on-line airframe structures expert who uses this data to index into detailed design databases, and returns 3D internal aircraft geometry to the field); (5) Single computational problems too large for any single system (e.g. the rotocraft reference calculation). Grids also have the potential to provide pools of resources that could be called on in extraordinary / rapid response situations (such as disaster response) because they can provide common interfaces and access mechanisms, standardized management, and uniform user authentication and authorization, for large collections of distributed resources (whether or not they normally function in concert). IPG development and deployment is addressing requirements obtained by analyzing a number of different application areas, in particular from the NASA Aero-Space Technology Enterprise. This analysis has focussed primarily on two types of users: the scientist / design engineer whose primary interest is problem solving (e.g. determining wing aerodynamic characteristics in many different operating environments), and whose primary interface to IPG will be through various sorts of problem solving frameworks. The second type of user is the tool designer: the computational scientists who convert physics and mathematics into code that can simulate the physical world. These are the two primary users of IPG, and they have rather different requirements. The results of the analysis of the needs of these two types of users provides a broad set of requirements that gives rise to a general set of required capabilities. The IPG project is intended to address all of these requirements. In some cases the required computing technology exists, and in some cases it must be researched and developed. The project is using available technology to provide a prototype set of capabilities in a persistent distributed computing testbed. Beyond this, there are required capabilities that are not immediately available, and whose development spans the range from near-term engineering development (one to two years) to much longer term R&D (three to six years). Additional information is contained in the original.

Johnston, William E.

Using an architectural approach to integrate heterogeneous, distributed software components

Many computer programs cannot be easily integrated because their components are distributed and heterogeneous, i.e., they are implemented in diverse programming languages, use different data representation formats, or their runtime environments are incompatible. In many cases, programs are integrated by modifying their components or interposing mechanisms that handle communication and conversion tasks. For example, remote procedure call (RPC) helps integrate heterogeneous, distributed programs. When configuring such programs, however, mechanisms like RPC must be used explicitly by software developers in order to integrate collections of diverse components. Each collection may require a unique integration solution. This paper describes improvements to the concepts of software packaging and some of our experiences in constructing complex software systems from a wide variety of components in different execution environments. Software packaging is a process that automatically determines how to integrate a diverse collection of computer programs based on the types of components involved and the capabilities of available translators and adapters in an environment. Software packaging provides a context that relates such mechanisms to software integration processes and reduces the cost of configuring applications whose components are distributed or implemented in different programming languages. Our software packaging tool subsumes traditional integration tools like UNIX make by providing a rule-based approach to software integration that is independent of execution environments.

Callahan, John R.

Catalytic ignition model in a monolithic reactor with in-depth reaction

Two transient models have been developed to study the catalytic ignition in a monolithic catalytic reactor. The special feature in these models is the inclusion of thermal and species structures in the porous catalytic layer. There are many time scales involved in the catalytic ignition problem, and these two models are developed with different time scales. In the full transient model, the equations are non-dimensionalized by the shortest time scale (mass diffusion across the catalytic layer). It is therefore accurate but is computationally costly. In the energy-integral model, only the slowest process (solid heat-up) is taken as nonsteady. It is approximate but computationally efficient. In the computations performed, the catalyst is platinum and the reactants are rich mixtures of hydrogen and oxygen. One-step global chemical reaction rates are used for both gas-phase homogeneous reaction and catalytic heterogeneous reaction. The computed results reveal the transient ignition processes in detail, including the structure variation with time in the reactive catalytic layer. An ignition map using reactor length and catalyst loading is constructed. The comparison of computed results between the two transient models verifies the applicability of the energy-integral model when the time is greater than the second largest time scale of the system. It also suggests that a proper combined use of the two models can catch all the transient phenomena while minimizing the computational cost.

Tien, Ta-Ching

Multi-task Parallelism for Robust Pre-training of Graph Foundation Models on Multi-source, Multi-fidelity Atomistic Modeling Data

Graph foundation models using graph neural networks promise sustainable, efficient atomistic modeling. To tackle challenges of processing multi-source, multi-fidelity data during pre-training, recent studies employ multi-task learning, in which shared message passing layers initially process input atomistic structures regardless of source, then route them to multiple decoding heads that predict data-specific outputs. This approach stabilizes pre-training and enhances a model’s transferability to unexplored chemical regions. Preliminary results on approximately four million structures are encouraging, yet questions remain about generalizability to larger, more diverse datasets and scalability on supercomputers. We propose a multi-task parallelism method that distributes each head across computing resources with GPU acceleration. Implemented in the open-source HydraGNN architecture, our method was trained on over 24 million structures from five datasets and tested on the Perlmutter, Aurora, and Frontier supercomputers, demonstrating efficient scaling on all three highly heterogeneous super-computing architectures.

Lupo Pasini, Massimiliano [ORNL] (ORCID:0000000249

The engine design engine. A clustered computer platform for the aerodynamic inverse design and analysis of a full engine

An application for parallel computation on a combined cluster of powerful workstations and supercomputers was developed. A Parallel Virtual Machine (PVM) is used as message passage language on a macro-tasking parallelization of the Aerodynamic Inverse Design and Analysis for a Full Engine computer code. The heterogeneous nature of the cluster is perfectly handled by the controlling host machine. Communication is established via Ethernet with the TCP/IP protocol over an open network. A reasonable overhead is imposed for internode communication, rendering an efficient utilization of the engaged processors. Perhaps one of the most interesting features of the system is its versatile nature, that permits the usage of the computational resources available that are experiencing less use at a given point in time.

Sanz, J.

Measuring the effects of distributed database models on transaction availability measures

Data distribution, data replication, and system reliability are key factors in determining the availability measures for transactions in distributed database systems. In order to simplify the evaluation of these measures, database designers and researchers tend to make unrealistic assumptions about these factors. Here, the effect of such assumptions on the computational complexity and accuracy of such evaluations is investigated. A database system is represented with five parameters related to the above factors. Probabilistic analysis is employed to evaluate the availability of read-one and read-write transactions. Both the read-one/write-all and the majority-read/majority-write replication control policies are considered. It is concluded that transaction availability is more sensitive to variations in degrees of replication, less sensitive to data distribution, and insensitive to reliability variations in a heterogeneous system. The computational complexity of the evaluations is found to be mainly determined by the chosen distributed database model, while the accuracy of the results are not so much dependent on the models.

Mukkamala, Ravi