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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Investigating power capping toward energy-efficient scientific applications: Investigating Power Capping toward Energy-Efficient Scientific Applications

The emergence of power efficiency as a primary constraint in processor and system design poses new challenges concerning power and energy awareness for numerical libraries and scientific applications. Power consumption also plays a major role in the design of data centers, which may house petascale or exascale-level computing systems. At these extreme scales, understanding and improving the energy efficiency of numerical libraries and their related applications becomes a crucial part of the successful implementation and operation of the computing system. In this paper, we study and investigate the practice of controlling a compute system's power usage, and we explore how different power caps affect the performance of numerical algorithms with different computational intensities. Further, we determine the impact, in terms of performance and energy usage, that these caps have on a system running scientific applications. This analysis will enable us to characterize the types of algorithms that benefit most from these power management schemes. Our experiments are performed using a set of representative kernels and several popular scientific benchmarks. Lastly, we quantify a number of power and performance measurements and draw observations and conclusions that can be viewed as a roadmap to achieving energy efficiency in the design and execution of scientific algorithms.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2018

Understanding scale-dependent soft-error behavior of scientific applications

Analyzing application fault behavior on large-scale systems is time-consuming and resource-demanding. Currently, researchers need to perform fault injection campaigns at full scale to understand the effects of soft errors on applications and whether these faults result in silent data corruption. Both time and resource requirements greatly limit the scope of the resilience studies that can be currently performed. In this work, we propose a methodology to model application fault behavior at large scale based on a reduced set of experiments performed at small scale. We employ machine learning techniques to accurately model application fault behavior using a set of experiments that can be executed in parallel at small scale. Our methodology drastically reduces the set and the scale of the fault injection experiments to be performed and provides a validated methodology to study application fault behavior at large scale. We show that our methodology can accurately model application fault behavior at large scale by using only small scale experiments. In some cases, we can model the fault behavior of a parallel application running on 4,096 cores with about 90% accuracy based on experiments on a single core.

Kestor, Gokcen G.↗
DOE OSTI2020

Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications

Developing software for scientific applications that require the integration of diverse types of computing, instruments, and data present challenges that are distinct from commercial software. These applications require scale, and the need to integrate various programming and computational models with evolving and heterogeneous infrastructure. Pervasive and effective abstractions for distributed infrastructures are thus critical; however, the process of developing abstractions for scientific applications and infrastructures is not well understood. While theory-based approaches for system development are suited for well-defined, closed environments, they have severe limitations for designing abstractions for scientific systems and applications. The design science research (DSR) method provides the basis for designing practical systems that can handle real-world complexities at all levels. In contrast to theory-centric approaches, DSR emphasizes both practical relevance and knowledge creation by building and rigorously evaluating all artifacts. In this work, we show how DSR provides a well-defined framework for developing abstractions and middleware systems for distributed systems. Specifically, we address the critical problem of distributed resource management on heterogeneous infrastructure over a dynamic range of scales, a challenge that currently limits many scientific applications. We use the pilot-abstraction, a widely used resource management abstraction for high-performance, high throughput, big data, and streaming applications, as a case study for evaluating the DSR activities. For this purpose, we analyze the research process and artifacts produced during the design and evaluation of the pilot-abstraction. We find DSR provides a concise framework for iteratively designing and evaluating systems. Finally, we capture our experiences and formulate different lessons learned.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Accelerating DCA++ (Dynamical Cluster Approximation) Scientific Application on the Summit supercomputer

Optimizing scientific applications on today’s accelerator-based high performance computing systems can be challenging, especially when multiple GPUs and CPUs with heterogeneous memories and persistent non-volatile memories are present. An example is Summit, an accelerator-based system at the Oak Ridge Leadership Computing Facility (OLCF) that is rated as the world’s fastest supercomputer to-date. New strategies are thus needed to expose the parallelism in legacy applications, while being amenable to efficient mapping to the underlying architecture.In this paper we discuss our experiences and strategies to port a scientific application, DCA++, to Summit. DCA++ is a highperformance research application that solves quantum manybody problems with a cutting edge quantum cluster algorithm, the dynamical cluster approximation.Our strategies aim to synergize the strengths of the different programming models in the code. These include: (a) streamlining the interactions between the CPU threads and the GPUs, (b) implementing computing kernels on the GPUs and decreasing CPU-GPU memory transfers, (c) allowing asynchronous GPU communications, and (d) increasing compute intensity by combining linear algebraic operations.Full-scale production runs using all 4600 Summit nodes attained a peak performance of 73.5 PFLOPS with a mixed precision implementation.We observed a perfect strong and weak scaling for the quantum Monte Carlo solver in DCA++, while encountering about 2× input/output (I/O) and MPI communication overhead on the time-to-solution for the full machine run. Our hardware agnostic optimizations are designed to alleviate the communication and I/O challenges observed, while improving the compute intensity and obtaining optimal performance on a complex, hybrid architecture like Summit.

Balduzzi, Giovanni↗
DOE OSTI2024

Architectural Implications of Neural Network Inference for High Data-Rate, Low-Latency Scientific Applications

With more scientific fields relying on neural networks (NNs) to process data incoming at extreme throughputs and latencies, it is crucial to develop NNs with all their parameters stored on-chip. In many of these applications, there is not enough time to go off-chip and retrieve weights. Even more so, off-chip memory such as DRAM does not have the bandwidth required to process these NNs as fast as the data is being produced (e.g., every 25 ns). As such, these extreme latency and bandwidth requirements have architectural implications for the hardware intended to run these NNs: 1) all NN parameters must fit on-chip, and 2) codesigning custom/reconfigurable logic is often required to meet these latency and bandwidth constraints. In our work, we show that many scientific NN applications must run fully on chip, in the extreme case requiring a custom chip to meet such stringent constraints.

Weng, Olivia↗
NASA NTRS1995

Constructing Scientific Applications from Heterogeneous Resources

A new model for high-performance scientific applications in which such applications are implemented as heterogeneous distributed programs or, equivalently, meta-computations, is investigated. The specific focus of this grant was a collaborative effort with researchers at NASA and the University of Toledo to test and improve Schooner, a software interconnection system, and to explore the benefits of increased user interaction with existing scientific applications.

Schichting, Richard D.↗
NASA NTRS1983

Results of data base management system parameterized performance testing related to GSFC scientific applications

The results of a variety of tests designed to demonstrate and evaluate the performance of several commercially available data base management system (DBMS) products compatible with the Digital Equipment Corporation VAX 11/780 computer system are summarized. The tests were performed on the INGRES, ORACLE, and SEED DBMS products employing applications that were similar to scientific applications under development by NASA. The objectives of this testing included determining the strength and weaknesses of the candidate systems, performance trade-offs of various design alternatives and the impact of some installation and environmental (computer related) influences.

Carchedi, C. H.↗
DOE OSTI2024

ytopt: Autotuning Scientific Applications for Energy Efficiency at Large Scales

As we enter the exascale computing era, efficiently utilizing power and optimizing the performance of scientific applications under power and energy constraints has become critical and challenging. We propose a low-overhead autotuning framework to autotune performance and energy for various hybrid MPI/OpenMP scientific applications at large scales and to explore the tradeoffs between application runtime and power/energy for energy efficient application execution, then use this framework to autotune four ECP proxy applications—XSBench, AMG, SWFFT, and SW4lite. Our approach uses Bayesian optimization with a Random Forest surrogate model to effectively search parameter spaces with up to 6 million different configurations on two large-scale HPC production systems, Theta at Argonne National Laboratory and Summit at Oak Ridge National Laboratory. The experimental results show that our autotuning framework at large scales has low overhead and achieves good scalability. Using the proposed autotuning framework to identify the best configurations, we achieve up to 91.59% performance improvement, up to 21.2% energy savings, and up to 37.84% EDP (energy delay product) improvement on up to 4096 nodes.

Autotuning↗
NASA NTRS2013

Profiling and Improving I/O Performance of a Large-Scale Climate Scientific Application

Exascale computing systems are soon to emerge, which will pose great challenges on the huge gap between computing and I/O performance. Many large-scale scientific applications play an important role in our daily life. The huge amounts of data generated by such applications require highly parallel and efficient I/O management policies. In this paper, we adopt a mission-critical scientific application, GEOS-5, as a case to profile and analyze the communication and I/O issues that are preventing applications from fully utilizing the underlying parallel storage systems. Through in-detail architectural and experimental characterization, we observe that current legacy I/O schemes incur significant network communication overheads and are unable to fully parallelize the data access, thus degrading applications' I/O performance and scalability. To address these inefficiencies, we redesign its I/O framework along with a set of parallel I/O techniques to achieve high scalability and performance. Evaluation results on the NASA discover cluster show that our optimization of GEOS-5 with ADIOS has led to significant performance improvements compared to the original GEOS-5 implementation.

Exascale↗
NASA NTRS1997

Proceedings of the Workshop on the Scientific Applications of Clocks in Space

The Workshop on Scientific Applications of Clocks in space was held to bring together scientists and technologists interested in applications of ultrastable clocks for test of fundamental theories, and for other science investigations. Time and frequency are the most precisely determined of all physical parameters, and thus are the required tools for performing the most sensitive tests of physical theories. Space affords the opportunity to make measurement, parameters inaccessible on Earth, and enables some of the most original and sensitive tests of fundamental theories. In the past few years, new developments in clock technologies have pointed to the opportunity for flying ultrastable clocks in support of science investigations of space missions. This development coincides with the new NASA paradigm for space flights, which relies on frequent, low-cost missions in place of the traditional infrequent and high-cost missions. The heightened interest in clocks in space is further advanced by new theoretical developments in various fields. For example, recent developments in certain Grand Unified Theory formalisms have vastly increased interest in fundamental tests of gravitation physics with clocks. The workshop included sessions on all related science including relativity and gravitational physics, cosmology, orbital dynamics, radio science, geodynamics, and GPS science and others, as well as a session on advanced clock technology.

Maleki, Lute↗
NASA NTRS2000

Developing CORBA-Based Distributed Scientific Applications from Legacy Fortran Programs

Recent progress in distributed object technology has enabled software applications to be developed and deployed easily such that objects or components can work together across the boundaries of the network, different operating systems, and different languages. A distributed object is not necessarily a complete application but rather a reusable, self-contained piece of software that co-operates with other objects in a plug-and-play fashion via a well-defined interface. The Common Object Request Broker Architecture (CORBA), a middleware standard defined by the Object Management Group (OMG), uses the Interface Definition Language (IDL) to specify such an interface for transparent communication between distributed objects. Since IDL can be mapped to any programming language, such as C++, Java, Smalltalk, etc., existing applications can be integrated into a new application and hence the tasks of code re-writing and software maintenance can be reduced. Many scientific applications in aerodynamics and solid mechanics are written in Fortran. Refitting these legacy Fortran codes with CORBA objects can increase the codes reusability. For example, scientists could link their scientific applications to vintage Fortran programs such as Partial Differential Equation(PDE) solvers in a plug-and-play fashion. Unfortunately, CORBA IDL to Fortran mapping has not been proposed and there seems to be no direct method of generating CORBA objects from Fortran without having to resort to manually writing C/C++ wrappers. In this paper, we present an efficient methodology to integrate Fortran legacy programs into a distributed object framework. Issues and strategies regarding the conversion and decomposition of Fortran codes into CORBA objects are discussed. The following diagram shows the conversion and decomposition mechanism we proposed. Our goal is to keep the Fortran codes unmodified. The conversion- aided tool takes the Fortran application program as input and helps programmers generate C/C++ header file and IDL file for wrapping the Fortran code. Programmers need to determine by themselves how to decompose the legacy application into several reusable components based on the cohesion and coupling factors among the functions and subroutines. However, programming effort still can be greatly reduced because function headings and types have been converted to C++ and IDL styles. Most Fortran applications use the COMMON block to facilitate the transfer of large amount of variables among several functions. The COMMON block plays the similar role of global variables used in C. In the CORBA-compliant programming environment, global variables can not be used to pass values between objects. One approach to dealing with this problem is to put the COMMON variables into the parameter list. We do not adopt this approach because it requires modification of the Fortran source code which violates our design consideration. Our approach is to extract the COMMON blocks and convert them into a structure-typed attribute in C++. Through attributes, each component can initialize the variables and return the computation result back to the client. We have tested successfully the proposed conversion methodology based on the f2c converter. Since f2c only translates Fortran to C, we still needed to edit the converted code to meet the C++ and IDL syntax. For example, C++/IDL requires a tag in the structure type, while C does not. In this paper, we identify the necessary changes to the f2c converter in order to directly generate the C++ header and the IDL file. Our future work is to add GUI interface to ease the decomposition task by simply dragging and dropping icons.

Sang, Janche↗
DOE OSTI2017

AMRZone: A Runtime AMR Data Sharing Framework For Scientific Applications

Frameworks that facilitate runtime data sharing across multiple applications are of great importance for scientific data analytics. Although existing frameworks work well over uniform mesh data, they can not effectively handle adaptive mesh refinement (AMR) data. Among the challenges to construct an AMR-capable framework include: (1) designing an architecture that facilitates online AMR data management; (2) achieving a load-balanced AMR data distribution for the data staging space at runtime; and (3) building an effective online index to support the unique spatial data retrieval requirements for AMR data. Towards addressing these challenges to support runtime AMR data sharing across scientific applications, we present the AMRZone framework. Experiments over real-world AMR datasets demonstrate AMRZone's effectiveness at achieving a balanced workload distribution, reading/writing large-scale datasets with thousands of parallel processes, and satisfying queries with spatial constraints. Moreover, AMRZone's performance and scalability are even comparable with existing state-of-the-art work when tested over uniform mesh data with up to 16384 cores; in the best case, our framework achieves a 46% performance improvement.

Zhang, Wenzhao↗
DOE OSTI2025

Enabling Scientific Applications with Performance-Portability and High-Productivity for Multi-GPU Programming with JACC.Multi

This work bridges the gap between multi-GPU computing and high-productivity, performance-portable programming solutions. Our goal is to enhance scientific applications with a productive and portable solution—program once, deploy everywhere—for multi-GPU programming with no cost to programmability. To accomplish this, we implemented JACC.Multi, which is part of the Julia for ACCelerators (JACC) performance-portable framework. JACC. Multi is the only high-level, portable metaprogramming solution that targets multi-GPU environments and is integrated in a readily accessible programming language (e.g., Julia language). With transparent GPU-to-GPU communication, JACC. Multi is optimized for scientific application workloads and is portable for NVIDIA and AMD accelerators. For the evaluation, we use two modern multi-GPU systems: Hudson, which features two NVIDIA H100 Hopper GPUs per node, and Frontier, which features four AMD MI250X GPUs per node, each with two Graphics Compute Dies (GCDs) for a total of eight GCDs per node. Additionally, as part of the evaluation, we use JACC (one GPU), MPI+JACC, and JACC. Multi codes that implement well-known and widely used scientific algorithms/kernels such as the conjugate gradient algorithm and an explicit forward Euler solver that requires GPU-to-GPU communication. Overall, JACC. Multi codes achieve better performance than MPI+JACC codes and significant speedups over JACC (one GPU), with up to 1.9× on Hudson and 6× on Frontier.

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗
DOE OSTI2019

Analyzing the suitability of contemporary 3D-stacked PIM architectures for HPC scientific applications

Scaling off-chip bandwidth is challenging due to fundamental limitations, such as a fixed pin count and plateauing signaling rates. Recently, vendors have turned to 2.5D and 3D stacking to closely integrate system components. Interestingly, these technologies can integrate a logic layer under multiple memory dies, enabling computing capability inside a memory stack. This trend in stacking is making PIM architectures commercially viable. In this work, we investigate the suitability of offloading kernels in scientific applications onto 3D stacked PIM architectures. We evaluate several hardware constraints resulted from the stacked structure. We perform extensive simulation experiments and in-depth analysis to quantify the impact of application locality in TLBs, data caches, and memory stacks. Our results also identify design optimization areas in software and hardware for HPC scientific applications.

Peng, Ivy Bo↗
NASA NTRS2001

Creating Web-Based Scientific Applications Using Java Servlets

There are many advantages to developing web-based scientific applications. Any number of people can access the application concurrently. The application can be accessed from a remote location. The application becomes essentially platform-independent because it can be run from any machine that has internet access and can run a web browser. Maintenance and upgrades to the application are simplified since only one copy of the application exists in a centralized location. This paper details the creation of web-based applications using Java servlets. Java is a powerful, versatile programming language that is well suited to developing web-based programs. A Java servlet provides the interface between the central server and the remote client machines. The servlet accepts input data from the client, runs the application on the server, and sends the output back to the client machine. The type of servlet that supports the HTTP protocol will be discussed in depth. Among the topics the paper will discuss are how to write an http servlet, how the servlet can run applications written in Java and other languages, and how to set up a Java web server. The entire process will be demonstrated by building a web-based application to compute stagnation point heat transfer.

Palmer, Grant↗
DOE OSTI2019

Automated Fortran–C++ Bindings for Large-Scale Scientific Applications

Although many active scientific codes use modern Fortran, most contemporary scientific software libraries are implemented in C and C++. Providing their numerical, algorithmic, or data management features to Fortran codes requires writing and maintaining substantial amounts of glue code. This paper introduces a tool that automatically generates native Fortran 2003 interfaces to C and C++ libraries. The tool supports C++ features that have no direct Fortran analog, such as templated functions and exceptions. Finally, a set of simple examples demonstrates the utility and scope of the tool, and timing measurements with a mock numerical library illustrate the minimal performance impact of the generated wrapper code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Reliable edge machine learning hardware for scientific applications

Extreme data rate scientific experiments create massive amounts of data that require efficient ML edge processing. This leads to unique validation challenges for VLSI implementations of ML algorithms: enabling bit-accurate functional simulations for performance validation in experimental software frameworks, verifying those ML models are robust under extreme quantization and pruning, and enabling ultra-fine-grained model inspection for efficient fault tolerance. We discuss approaches to developing and validating reliable algorithms at the scientific edge under such strict latency, resource, power, and area requirements in extreme experimental environments. We study metrics for developing robust algorithms, present preliminary results and mitigation strategies, and conclude with an outlook of these and future directions of research towards the longer-term goal of developing autonomous scientific experimentation methods for accelerated scientific discovery.

Baldi, Tommaso↗
NASA NTRS1994

Techniques and Tools for Performance Tuning of Parallel and Distributed Scientific Applications

Performance degradation in scientific computing on parallel and distributed computer systems can be caused by numerous factors. In this half-day tutorial we explain what are the important methodological issues involved in obtaining codes that have good performance potential. Then we discuss what are the possible obstacles in realizing that potential on contemporary hardware platforms, and give an overview of the software tools currently available for identifying the performance bottlenecks. Finally, some realistic examples are used to illustrate the actual use and utility of such tools.

Sarukkai, Sekhar R.↗