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At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Support CEED-enabled ECP applications in their preparation for Aurora/Frontier

The goal of this milestone was to help CEED-enabled ECP applications (particularly ExaSMR, MARBL, ExaAM, ExaWind and E3SM) in their preparations for the Aurora and Frontier architectures. This work included collaboration with ECP vendors and porting and optimization of CEED’s benchmarks and miniapps to early access hardware. As part of this milestone, we also made the best bake-off problems and bake-off kernel implementation from Nek, MFEM, libParanumal and the external community available in the latest libCEED release, libCEED-0.7. During the milestone period we also organized, in virtual form, the fourth CEED Annual meeting (CEED4AM) which included representatives from ECP applications, vendors and software technology projects. The specific tasks addressed in this milestone were to: (1) Work with vendors to port and run CEED benchmarks on early access systems for Aurora and Frontier; (2) Make the best BP/BK implementations from Nek, MFEM, libParanumal and external community available in libCEED; (3) Organize the next CEED Annual meeting (CEED4AM); and (4) Optimize CEED applications and miniapps for Aurora and Frontier architectures. The artifacts delivered include the next libCEED release, libCEED-0.7, and a number of developments integrated within applications to improve their GPU performance and capabilities. See the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed for more details.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2010

TEAMS Model Analyzer

The TEAMS model analyzer is a supporting tool developed to work with models created with TEAMS (Testability, Engineering, and Maintenance System), which was developed by QSI. In an effort to reduce the time spent in the manual process that each TEAMS modeler must perform in the preparation of reporting for model reviews, a new tool has been developed as an aid to models developed in TEAMS. The software allows for the viewing, reporting, and checking of TEAMS models that are checked into the TEAMS model database. The software allows the user to selectively model in a hierarchical tree outline view that displays the components, failure modes, and ports. The reporting features allow the user to quickly gather statistics about the model, and generate an input/output report pertaining to all of the components. Rules can be automatically validated against the model, with a report generated containing resulting inconsistencies. In addition to reducing manual effort, this software also provides an automated process framework for the Verification and Validation (V&V) effort that will follow development of these models. The aid of such an automated tool would have a significant impact on the V&V process.

Tijidjian, Raffi P.↗

NASA NTRS2016

How Many Developers? Staffing Strategies for Maintenance of Critical Software Systems at the Jet Propulsion Laboratory

No abstract available

Taber, Bill↗

DOE OSTI2016

Rapid sample classification using an open port sampling interface coupled with liquid introduction atmospheric pressure ionization mass spectrometry

An “Open Access”-like mass spectrometric platform to fully utilize the simplicity of the manual open port sampling interface for rapid characterization of unprocessed samples by liquid introduction atmospheric pressure ionization mass spectrometry has been lacking. The in-house developed integrated software with a simple, small and relatively low-cost mass spectrometry system introduced here fills this void. Software was developed to operate the mass spectrometer, to collect and process mass spectrometric data files, to build a database and to classify samples using such a database. These tasks were accomplished via the vendorprovided software libraries. Sample classification based on spectral comparison utilized the spectral contrast angle method. As a result, using the developed software platform near real-time sample classification is exemplified using a series of commercially available blue ink rollerball pens and vegetable oils. In the case of the inks, full scan positive and negative ion ESI mass spectra were both used for database generation and sample classification. For the vegetable oils, full scan positive ion mode APCI mass spectra were recorded. The overall accuracy of the employed spectral contrast angle statistical model was 95.3% and 98% in case of the inks and oils, respectively, using leave-one-out cross-validation. In conclusion, this work illustrates that an open port sampling interface/mass spectrometer combination, with appropriate instrument control and data processing software, is a viable direct liquid extraction sampling and analysis system suitable for the non-expert user and near real-time sample classification via database matching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Evaluation of Portable Programming Models to Accelerate LArTPC Detector Simulations

The Liquid Argon Time Projection Chamber (LArTPC) technology is widely used in high energy physics experiments, including the upcoming Deep Underground Neutrino Experiment (DUNE). Accurately simulating LArTPC detector responses is essential for analysis algorithm development and physics model interpretations. Accurate LArTPC detector response simulations are computationally demanding, and can become a bottleneck in the analysis workflow. Compute devices such as General-Purpose Graphics Processing Units (GPGPUs) have the potential to substantially accelerate simulations compared to traditional CPU-only processing. The software development for these compute accelerators often carries the cost of specialized code refactorization and porting to match the target hardware architecture. With the rapid evolution and increased diversity of the computer architecture landscape, it is highly desirable to have a portable solution that also maintains reasonable performance. We report our ongoing effort in evaluating Kokkos as a basis for this portable programming model using LArTPC simulations in the context of the Wire-Cell Toolkit, a C++ library for LArTPC simulations, data analysis, reconstruction and visualization.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Numerical Simulations of Cryogenic Hydrogen Cooling in Vortex Tubes with Smooth Transitions

Improving efficiency of hydrogen cooling in cryogenic conditions is important for the wider applications of hydrogen energy systems. The approach investigated in this study is based on a Ranque-Hilsch vortex tube (RHVT) that generates temperature separation in a working fluid. The simplicity of RHVT is also a valuable characteristic for cryogenic systems. In the present work, novel shapes of RHVT are computationally investigated with the goal to raise efficiency of the cooling process. Specifically, a smooth transition is arranged between a vortex chamber, where compressed gas is injected, and the main tube with two exit ports at the tube ends. Flow simulations have been carried out using STAR-CCM+ software with the real-gas Redlich-Kwong model for hydrogen at temperatures near 70 K. It is determined that a vortex tube with a smooth transition of moderate size manifests about 7% improvement of the cooling efficiency when compared vortex tubes that use traditional vortex chambers with stepped transitions and a no-chamber setup with direct gas injection.

08 HYDROGEN↗

DOE OSTI2023

Thermal Modeling of Advanced Test Reactor Fuel in a Generalized Dry Storage System Under Hypothetical Accident Conditions

Work was performed to investigate the thermal behavior of a sealed aluminum-clad spent nuclear fuel (ASNF) dry storage configuration under hypothetical accident conditions during long-term storage. The considered system consists of a concrete dry storage overpack; a welded over canister, backfilled with argon; and nine Department of Energy (DOE) standardized canisters (DOESCs) loaded with ASNF, backfilled with helium gas. One technical concern associated with the long-term storage of ASNF includes radiolytic hydrogen generation. The yield of large quantities of hydrogen could lead to DOESC over pressurization or a flammable internal atmosphere. While flammability concerns can be resolved by preventing the ingress of oxygen, the canister pressure is partially controlled by the atmosphere temperature. This memorandum summarizes the results of modeling and simulation (M&S) work completed with Star CCM+ (a computational fluid dynamics [CFD] software) considering the thermal effects of a fully engulfing flame and another scenario with the vent ports of the concrete dry storage overpack completely blocked. The goal was to determine the bounding maximum temperature of the DOESC internal atmosphere to evaluate a worst-case pressure scenario, as well as the critical vent port blockage durations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2013

Scheduling Operations for Massive Heterogeneous Clusters

High-performance computing (HPC) programming has become increasingly difficult with the advent of hybrid supercomputers consisting of multicore CPUs and accelerator boards such as the GPU. Manual tuning of software to achieve high performance on this type of machine has been performed by programmers. This is needlessly difficult and prone to being invalidated by new hardware, new software, or changes in the underlying code. A system was developed for task-based representation of programs, which when coupled with a scheduler and runtime system, allows for many benefits, including higher performance and utilization of computational resources, easier programming and porting, and adaptations of code during runtime. The system consists of a method of representing computer algorithms as a series of data-dependent tasks. The series forms a graph, which can be scheduled for execution on many nodes of a supercomputer efficiently by a computer algorithm. The schedule is executed by a dispatch component, which is tailored to understand all of the hardware types that may be available within the system. The scheduler is informed by a cluster mapping tool, which generates a topology of available resources and their strengths and communication costs. Software is decoupled from its hardware, which aids in porting to future architectures. A computer algorithm schedules all operations, which for systems of high complexity (i.e., most NASA codes), cannot be performed optimally by a human. The system aids in reducing repetitive code, such as communication code, and aids in the reduction of redundant code across projects. It adds new features to code automatically, such as recovering from a lost node or the ability to modify the code while running. In this project, the innovators at the time of this reporting intend to develop two distinct technologies that build upon each other and both of which serve as building blocks for more efficient HPC usage. First is the scheduling and dynamic execution framework, and the second is scalable linear algebra libraries that are built directly on the former.

Humphrey, John↗

DOE OSTI2021

EXAGRAPH: Graph and combinatorial methods for enabling exascale applications

Combinatorial algorithms in general and graph algorithms in particular play a critical enabling role in numerous scientific applications. However, the irregular memory access nature of these algorithms makes them one of the hardest algorithmic kernels to implement on parallel systems. With tens of billions of hardware threads and deep memory hierarchies, the exascale computing systems in particular pose extreme challenges in scaling graph algorithms. The codesign center on combinatorial algorithms, ExaGraph, was established to design and develop methods and techniques for efficient implementation of key combinatorial (graph) algorithms chosen from a diverse set of exascale applications. Algebraic and combinatorial methods have a complementary role in the advancement of computational science and engineering, including playing an enabling role on each other. In this paper, we survey the algorithmic and software development activities performed under the auspices of ExaGraph from both a combinatorial and an algebraic perspective. In particular, we detail our recent efforts in porting the algorithms to manycore accelerator (GPU) architectures. We also provide a brief survey of the applications that have benefited from the scalable implementations of different combinatorial algorithms to enable scientific discovery at scale. We believe that several applications will benefit from the algorithmic and software tools developed by the ExaGraph team.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1990

Software reliability through fault-avoidance and fault-tolerance

The use of back-to-back, or comparison, testing for regression test or porting is examined. The efficiency and the cost of the strategy is compared with manual and table-driven single version testing. Some of the key parameters that influence the efficiency and the cost of the approach are the failure identification effort during single version program testing, the extent of implemented changes, the nature of the regression test data (e.g., random), and the nature of the inter-version failure correlation and fault-masking. The advantages and disadvantages of the technique are discussed, together with some suggestions concerning its practical use.

Vouk, Mladen A.↗

DOE OSTI2021

Computational Fluid Dynamics Modeling to Simulate a Combined Reforming Process for Syngas and Hydrogen Production

An Oxygen Transport Membrane (OTM) combined reforming technology for producing syngas and hydrogen integrates the advantages of multiple processes—steam methane reforming (SMR), autothermal reforming (ATR), an air separation unit (ASU)—into a single integrated technology. The OTM consists of a primary reforming tube, in which desulfurized natural gas is partially reformed by steam at high pressure in the presence of a metal catalyst. This process is followed in series by a ceramic OTM with a secondary reformer, in which residual methane reforms and O 2 - ions react with a portion of the CO and H 2 fuel to provide the heat to support both primary and secondary reforming. Although the OTM combined reformer technology for syngas and H 2 production has been substantially developed in the last decade, several challenges that affect the overall production efficiency and reliability are yet to be fully understood, addressed, and resolved. Therefore, developing Computational Fluid Dynamics (CFD) models that incorporate fluid dynamics, mass transport, kinetics, heat transport, and structural mechanics is critical to understanding and minimizing the probability of tube failures during the startup and operation. In this report, an exhaustive literature review was performed to survey the current state of technology for producing syngas and H 2 using either conventional or renewable energy sources. The feedstocks reviewed include natural gas and coal for the conventional technologies, whereas biomass, solar, wind, and nuclear energy for the renewable technologies. The existing industry-grade COMSOL multiphysics models of OTM were upgraded for the latest software release. In addition, they were improved to help achieve grid and solver independence and were successfully ported on the ORNL high-performance computing clusters to speed up their run times. A 42% reduction in the simulation run time was achieved. A new higher-fidelity CFD model of an OTM tube was developed in the StarCCM+ simulation platform. This new model was designed to simulate various physics using first principles, e.g., turbulent flow, heat transfer, and chemical reactions while avoiding unnecessary simplifications. The resulting predictions were qualitatively assessed and provided useful insights into the multiphysics complexity of an OTM tube.

08 HYDROGEN↗

DOE OSTI2022

Developments in Performance and Portability for MadGraph5_aMC@NLO

Event generators simulate particle interactions using Monte Carlo techniques, providing the primary connection between experiment and theory in experimental high energy physics. These software packages, which are the first step in the simulation worflow of collider experiments, represent approximately 5 to 20% of the annual WLCG usage for the ATLAS and CMS experiments. With computing architectures becoming more heterogeneous, it is important to ensure that these key software frameworks can be run on future systems, large and small. In this contribution, recent progress on porting and speeding up the Madgraph5_aMC@NLO event generator on hybrid architectures, i.e. CPU with GPU accelerators, is discussed. The main focus of this work has been in the calculation of scattering amplitudes and "matrix elements", which is the computational bottleneck of an event generation application. For physics processes limited to QCD leading order, the code generation toolkit has been expanded to produce matrix element calculations using C++ vector instructions on CPUs and using CUDA for NVidia GPUs, as well as using Alpaka, Kokkos and SYCL for multiple CPU and GPU architectures. Performance is reported in terms of matrix element calculations per time on NVidia, Intel, and AMD devices. The status and outlook for the integration of this work into a production release usable by the LHC experiments, with the same functionalities and very similar user interfaces as the current Fortran version, is also described.

Valassi, Andrea↗

NASA NTRS1982

Bi-directional communication interface for microprocessor-to-system/370

The design and operation of a bi-directional communication interface between a microcomputer and the IBM System/370 is documented. The hardware unit inter-connects a modem to interface to the S/370, the microcomputer with an EIA I/O port, and a terminal for sending and receiving data from either the microcomputer of the S/370. The software necessary for the two-way interface is also described. This interface was designed so that no modifications need to be made to the terminal, modem or microcomputer.

Fischer, J. P.↗

NASA NTRS1986

Hardware/Software Expansion of Display Terminal and CPU

IBM PC coupling used to expand capabilities of expensive specialpurpose system. IBM PC was interfaced to Tektronix CP1151 computer through teletype port of Tektronix 4010-1 computer display terminal. Electronic interface built to provide isolation, level shifting, and signal inversion between IBM PC RS-232 port and 4010-1 terminal teletype port. Modifications to 4010-1 terminal made to increase teletype rate from 110 to 9,600 baud. Software for both computers developed to give control of DPO system to IBM PC and provide data/program file exchange between two computers. Coupling demonstrates utilization of low-cost microcomputer hardware and software to expand capabilities of expensive special-purpose computer systems.

Adams, B. R.↗

NASA NTRS2000

SSME Bearing and Seal Tester Data Compilation, Analysis and Reporting; and Refinement of the Cryogenic Bearing Analysis Mathematical Model

SRS and NASA/MSFC have developed software with unique capabilities to couple bearing kinematic modeling with high fidelity thermal modeling. The core thermomechanical modeling software was developed by SRS and others in the late 1980's and early 1990's under various different contractual efforts. SRS originally developed software that enabled SHABERTH (Shaft Bearing Thermal Model) and SINDA (Systems Improved Numerical Differencing Analyzer) to exchange data and autonomously allowing bearing component temperature effects to propagate into the steady state bearing mechanical model. A separate contract was issued in 1990 to create a personal computer version of the software. At that time SRS performed major improvements to the code. Both SHABERTH and SINDA were independently ported to the PC and compiled. SRS them integrated the two programs into a single program that was named SINSHA. This was a major code improvement.

Moore, James↗

NASA NTRS2000

SSME Bearing and Seal Tester Data Compilation, Analysis, and Reporting; and Refinement of the Cryogenic Bearing Analysis Mathematical Model

Moore, James↗

DOE OSTI2024

Large-scale Hydrogen Storage Risk Assessment

This project investigated risks involved in deploying a large-scale hydrogen storage system at the Port of Seattle (hereafter, the Port) for its on-terminal and maritime applications in an urban industrial setting. Alongside, the project attempted to address some of the barriers to risk assessment such as need for an exact system design for a systematic investigation, direct access to surrounding communities to gauge their perceptions, and an integrated software required to undertake a full-fledged risk assessment. These barriers were overcome using illustrative reference station designs, engaging with community-facing agencies through Port support, and pooling national laboratory capabilities available for risk assessments. The project identified relevant public safety risk metrics, compared various hydrogen carriers, engaged with community-facing agencies, and explored potential gaps in existing safety codes and standards. The primary impacts of this project include the development of risk assessment guidance for ports and utilities, informing them of the trade-offs in the choice of hydrogen carriers, and the ability to increase public capacity for dialog and engagement. This paves the way toward decarbonization of the Port activities, bringing about awareness around jobs in the market for risk assessments, and the need to ramp up community engagement long before any hydrogen system deployment is undertaken.

08 HYDROGEN↗

NASA NTRS2010

Injecting Errors for Testing Built-In Test Software

Two algorithms have been conceived to enable automated, thorough testing of Built-in test (BIT) software. The first algorithm applies to BIT routines that define pass/fail criteria based on values of data read from such hardware devices as memories, input ports, or registers. This algorithm simulates effects of errors in a device under test by (1) intercepting data from the device and (2) performing AND operations between the data and the data mask specific to the device. This operation yields values not expected by the BIT routine. This algorithm entails very small, permanent instrumentation of the software under test (SUT) for performing the AND operations. The second algorithm applies to BIT programs that provide services to users application programs via commands or callable interfaces and requires a capability for test-driver software to read and write the memory used in execution of the SUT. This algorithm identifies all SUT code execution addresses where errors are to be injected, then temporarily replaces the code at those addresses with small test code sequences to inject latent severe errors, then determines whether, as desired, the SUT detects the errors and recovers

Gender, Thomas K.↗