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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Case Study of LLVM-Based Analysis for Optimizing SIMD Code Generation

This paper presents a methodology for using LLVM-based tools to tune the DCA++ (dynamical cluster approximation) application that targets the new ARM A64FX processor. The goal is to describe the changes required for the new architecture and generate efficient single instruction/multiple data (SIMD) instructions that target the new Scalable Vector Extension instruction set. During manual tuning, the authors used the LLVM tools to improve code parallelization by using OpenMP SIMD, refactored the code and applied transformation that enabled SIMD optimizations, and ensured that the correct libraries were used to achieve optimal performance. By applying these code changes, code speed was increased by 1.98× and 78 GFlops were achieved on the A64FX processor. The authors aim to automatize parts of the efforts in the OpenMP Advisor tool, which is built on top of existing and newly introduced LLVM tooling.

Huber, Joseph↗
DOE OSTI2023

Evaluating Portable Parallelization Strategies for Heterogeneous Architectures in High Energy Physics

High-energy physics (HEP) experiments have developed millions of lines of code over decades that are optimized to run on traditional x86 CPU systems. However, we are seeing a rapidly increasing fraction of floating point computing power in leadership-class computing facilities and traditional data centers coming from new accelerator architectures, such as GPUs. HEP experiments are now faced with the untenable prospect of rewriting millions of lines of x86 CPU code, for the increasingly dominant architectures found in these computational accelerators. This task is made more challenging by the architecture-specific languages and APIs promoted by manufacturers such as NVIDIA, Intel and AMD. Producing multiple, architecture-specific implementations is not a viable scenario, given the available person power and code maintenance issues. The Portable Parallelization Strategies team of the HEP Center for Computational Excellence is investigating the use of Kokkos, SYCL, OpenMP, std::execution::parallel and alpaka as potential portability solutions that promise to execute on multiple architectures from the same source code, using representative use cases from major HEP experiments, including the DUNE experiment of the Long Baseline Neutrino Facility, and the ATLAS and CMS experiments of the Large Hadron Collider. This cross-cutting evaluation of portability solutions using real applications will help inform and guide the HEP community when choosing their software and hardware suites for the next generation of experimental frameworks. We present the outcomes of our studies, including performance metrics, porting challenges, API evaluations, and build system integration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Optvis

Optvis is a web application to visualize control flow graphs, call graphs, disassembly code from a binary or executable. The main use case is visualizing the compiler optimizations in binary code.

Aschwanden, PascalD.↗
DOE OSTI2025

FIDES-II/P2M Simulation Exercise on AN3 and AN10 bump tests: main results

This paper presents simulations of bump tests conducted as part of the P2M (Power to Melt and Maneuverability) project within the OECD/NEA FIDES-II framework (Framework for Irradiation Experiments). To prepare fuel performance codes for analyzing the P2M experiments, an international Simulation Exercise (SE) was initiated under the P2M project. The objective of this exercise was to model the AN3 and AN10 bump tests carried out in the 1980s at the DR3 reactor (3rd RISØ Fission Gas Project), during which instrumented fuel rodlets (equipped with thermocouples and pressure sensors) were subjected to prolonged power transients and power dips. The ongoing simulation exercise involves seven organizations from industry, research, and regulatory bodies, each using different fuel performance codes. This paper provides detailed descriptions of the test cases and simulation results from six fuel performance codes (ALCYONE, BISON, FAST, FEMAXI, FRAPCON, and TRANSURANUS), with a particular focus on fission gas release kinetics.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Model uncertainty in accelerator application simulations

Monte-Carlo nuclear reaction and transport codes are widely used to devise accelerator-based nuclear physics experiments; at the same time, many experiments are performed to validate the Monte-Carlo codes, which can be used for the design of full-scale nuclear power applications or the design of new benchmark experiments. Dedicated model benchmark studies investigate a broad range of nuclear reactions and quantities. Examples of these include isotope formation or secondary particle fluxes that result from the interactions of GeV-range hadrons with monoisotopic targets, which can be used to assess the respective systematic uncertainty of models. Such benchmark studies, as well as many nuclear application experiments and simulations carried out by various groups over the last few decades, enable us to draw methodological lessons. In this work, model uncertainty determined based on available experimental data allow us to identify the effects of practitioner expertise as well as the design of codes (user access to micro-scale parameters) on the range of uncertainties. We found that in cases when simulations are performed by code developers or users that are very experienced in performing simulations, the model to experiment quantity ratios generally agree with the limits determined by dedicated benchmark studies. In other cases, the ratios generally tend to be either smaller (underestimation of model error) or larger (overestimation of model error). A plausible explanation of the aforementioned effects is suggested.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Comparison of methods to estimate aerosol effective radiative forcings in climate models

Abstract. Uncertainty in the effective radiative forcing (ERF) of climate primarily arises from the unknown contribution of aerosols, which impact radiative fluxes directly and through modifying cloud properties. Climate model simulations with fixed sea surface temperatures but perturbed atmospheric aerosol loadings allow for an estimate of how strongly the planet's radiative energy budget has been perturbed by the increase in aerosols since pre-industrial times. The approximate partial radiative perturbation (APRP) technique further decomposes the contributions to the direct forcing due to aerosol scattering and absorption and to the indirect forcing due to aerosol-induced changes in cloud scattering, amount, and absorption, as well as the effects of aerosols on surface albedo. Here we evaluate previously published APRP-derived estimates of aerosol effective radiative forcings from these simulations conducted in the sixth phase of the Coupled Model Intercomparison Project (CMIP6) and find that they are biased as a result of two large coding errors that – in most cases – fortuitously compensate. The most notable exception is the direct radiative forcing from absorbing aerosols, which is more than 40 % larger averaged across CMIP6 models in the present study. Correcting these biases eliminates the residuals and leads to better agreement with benchmark estimates derived from double calls to the radiation code. The APRP method – when properly implemented – remains a highly accurate and efficient technique for diagnosing aerosol ERF in cases where double radiation calls are not available, and in all cases it provides quantification of the individual contributors to the ERF that are highly useful but not otherwise available.

58 GEOSCIENCES↗
DOE OSTI2021

Spray: Sparse Reductions of Arrays in OPEN MP

We present SPRAY, an open-source header-only C++ library for sparse reductions of arrays. SPRAY is meant for applications in which a large array is collaboratively updated by multiple threads using an associative and commutative operation such as +=. Especially when each thread accesses only parts of the array, SPRAY can perform significantly better than OPENMP's built-in reduction clause or atomic updates, while also using less memory than the former. SPRAY provides both an easy-to-use interface that can serve as a drop-in replacement for OPENMP reductions and a selection of reducer objects that accumulate the final result in different thread-safe ways. We demonstrate SPRAY through multiple test cases including the LULESH shock hydrodynamics code and a transpose-matrix-vector multiplication for sparse matrices stored in CSR format. SPRAY reductions outperform built-in OPENMP reductions consistently, in some cases improving run time and memory overhead by 20X, and even beating domain-specific approaches such as Intel MKI, by over 2X in some cases. Furthermore, SPRAY reductions have a minimal impact on the code base, requiring only a few lines of source code changes. Once in place, SPRAY reduction schemes can be switched easily, allowing performance portability and tuning opportunities by separating performance-critical implementation details from application code.

OpenMP↗
DOE OSTI2022

Validation of edge turbulence codes against the TCV-X21 diverted L-mode reference case

Self-consistent full-size turbulent-transport simulations of the divertor and scrape-off-layer (SOL) of existing tokamaks have recently become feasible. This enables the direct comparison of turbulence simulations against experimental measurements. In this work, we perform a series of diverted ohmic L-mode discharges on the tokamak à configuration variable (TCV) tokamak, building a first-of-a-kind dataset for the validation of edge turbulence models. This dataset, referred to as TCV-X21, contains measurements from five diagnostic systems from the outboard midplane (OMP) to the divertor targets—giving a total of 45 one- and two-dimensional comparison observables in two toroidal magnetic field directions. The experimental dataset is used to validate three flux-driven 3D fluid-turbulence models—GBS, GRILLIX and TOKAM3X. With each model, we perform simulations of the TCV-X21 scenario, individually tuning the particle and power source rates to achieve a reasonable match of the upstream separatrix value of density and electron temperature. We find that the simulations match the experimental profiles for most observables at the OMP—both in terms of profile shape and absolute magnitude—while a comparatively poorer agreement is found towards the divertor targets. The match between simulation and experiment is seen to be sensitive to the value of the resistivity, the heat conductivities, the power injection rate and the choice of sheath boundary conditions. Additionally, despite targeting a sheath-limited regime, the discrepancy between simulations and experiment also suggests that the neutral dynamics should be included. The results of this validation show that turbulence models are able to perform simulations of existing devices and achieve reasonable agreement with experimental measurements. Where disagreement is found, the validation helps to identify how the models can be improved. By publicly releasing the experimental dataset and validation analysis, this work should help to guide and accelerate the development of predictive turbulence simulations of the edge and SOL.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY↗
DOE OSTI2025

Fully Homomorphic Encryption

This code implements a Fully Homomorphic Encryption (FHE) system, enabling secure computation on encrypted data without requiring decryption. It supports encryption, decryption, and homomorphic operations like matrix multiplication and addition. This code is adaptable for integrating FHE into linear-time invariant (LTI) systems, including digital control and filtering. With proper configuration from subject matter expertise, encrypted system parameters and signals can be manipulated to perform tasks like state updates, output calculations, and convolution in the encrypted domain. By preserving the structure of LTI systems while ensuring privacy, the framework facilitates secure applications in areas such as autonomous systems, signal processing, and industrial automation. The code initializes the encryption system using parameters provided in the env dictionary. These parameters include the ciphertext modulus, key dimension, plaintext fixed-point scaling factor, and noise bound. During initialization, a secret key is generated, which is essential for encrypting and decrypting data securely. The modular design allows users to tailor these parameters to specific use cases or security requirements. The code implements multiple cryptographic schemes. The learning with errors (LWE) encryption method encodes cleartext message to their plaintext fixed-point representation then encrypted into ciphertext space with additive noise. This noise ensures the security of the scheme, relying on the computational hardness of the LWE problem. The code also includes the Gentry-Sahai-Waters (GSW) scheme based off the LWE problem. Homomorphic matrix multiplication is performed between the LWE and GSW to encrypted data. This is achieved using a decomposition function on the LWE ciphertext during the multiplication operation. For higher-dimensional data, the code includes a method to encrypt entire matrices (GSWMat) using GSW encryption. These encrypted matrices can then be used for homomorphic matrix multiplications (MatMult). The decryption function uses the secret key to recover the original plaintext, removing the added noise and scaling that was originally applied during encryption.

Lois, Roberts [Idaho National Laboratory (INL), Id↗
DOE OSTI2025

SCM overview & the EBR-II shutdown heat removal tests validation.

Pronghorn is an engineering-scale, coarse-mesh, thermal-hydraulics tool for supporting reactor-core simulations of advanced nuclear reactors. Most of the current efforts in Pronghorn have been devoted in developing porous finite-volume capabilities and adapting closure correlations for coarse-mesh thermal-hydraulics modeling. However, for liquid-metal reactors (LMRs) with wire-wrapped fuel pin assemblies, a pin-level thermal-hydraulic resolution is required for most safety case studies (pin rupture, channel blockage, etc.). For this purpose, a new Subchannel application is developed in MOOSE, which affords the required flow field resolution, while still preserving an engineering-scale approach. This new solver can be natively coupled to Pronghorn and other MOOSE objects to enable full-core, multi-physics, multi-scale engineering studies. This presentation presents the main features of the SCM code and demonstrates a validation case based on the EBR-II SHRT tests.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2024

Paths Forward: Approaches to Achieve Plug and Process Load Efficiency and Control in Commercial Buildings: Preprint

To accomplish net-zero carbon in the built environment by 2050, we must equitably decarbonize commercial buildings, which includes reducing plug and process loads (PPLs). PPLs are plug-in or hardwired electric and gas loads that are not directly associated with major building end uses like lighting and heating, ventilating, and air conditioning. PPLs account for a growing portion of U.S. commercial building energy consumption. Although commercial building PPL strategies and technologies are available today, they have not been adopted at a level sufficient to achieve significant savings and load flexibility across the building stock. In our "Pathways to Plug and Process Load Efficiency and Control" study, we investigated why these technologies and strategies have not seen widespread adoption and identified five behavior and technology pathways to increase PPL reduction in commercial buildings. In this paper, we expand beyond identifying the pathways and discuss approaches for achieving them. We discuss the importance of collecting and sharing data and case studies on PPL energy consumption and savings from control technology implementation, including code-required measures, for increasing adoption. Centralizing case studies and data, engaging industry organizations, and promoting awareness of PPL efficiency benefits to relevant groups are also key approaches. Additionally, funding, incentives, and rebate programs play important roles in driving PPL efficiency and control adoption. Finally, we discuss integrating PPL efficiency into broader company goals, such as environmental, social and governance (ESG) strategies and green building certifications, to further drive adoption.

adoption pathways↗
DOE OSTI2021

Developing and testing capabilities for simulating cases with heterogeneous land/water surfaces in a novel atmospheric large eddy simulation code

Large eddy simulations (LES) are the primary computational tool used to simulate high Reynolds number three-dimensional turbulent flows. In the context of earth system sciences, particularly atmospheric science, LES are uniquely able to resolve the scales of atmospheric motion that are key for building process-level understanding of boundary layer turbulence, atmosphere-surface interaction, clouds, and cloud-aerosol-chemistry interaction, and are a core limited-area modeling capability. Increasing demands are being placed on LES code bases as growing high performance computing resources allow LES to address a wider range of scientific problems. In addition, LES are emerging as a source of high-quality machine learning training data. These demands necessitate an agile and extensible code base that allows the model to quickly adapt to emergent needs. However, LES have largely relied on legacy Fortran code bases that lack flexibility. A new, Python-based LES capability called Predicting INteractions of Aerosol and Clouds in Large Eddy Simulation (PINACLES) has been developed as part of the Department of Energy’s Earth System Model Development (ESMD) program area’s Enabling Aerosol-cloud interactions at Global convection-permitting scalES (EAGLES) project. PINACLES was developed from the ground up with a philosophy of maximizing scientific throughput, by attempting to optimize for both model throughput and software extensibility. The initial development of PINACLES delivered a state-of-the-art idealized LES capability solving the non-hydrostatic anelastic equations of motion with doubly periodic boundary conditions and idealized homogenous surface boundary conditions. Here we provide a final report on the outcomes of a fiscal year 2021 Seed Laboratory Directed Research Project that extended PINACLES in two key ways. First, PINACLES was coupled to a state-of-the-art land surface model enabling it to simulate spatially inhomogeneous land-atmosphere interactions that are known to control key atmospheric processes. Second, the dynamical core of PINACLES was modified to permit non-periodic boundary conditions. This model enhancement enables simulation of realistic cases with boundary conditions prescribed from atmospheric reanalysis and enables nested simulations conducted on a hierarchy of computational domains with increasing resolution. Together, these extensions to PINACLES make it a formidable modeling capability and expand its potential application to diverse components of DOE’s atmospheric science portfolio.

42 ENGINEERING↗
DOE OSTI2022

Quantum minimal surfaces from quantum error correction

We show that complementary state-specific reconstruction of logical (bulk) operators is equivalent to the existence of a quantum minimal surface prescription for physical (boundary) entropies. This significantly generalizes both sides of an equivalence previously shown by Harlow[1]; in particular, we do not require the entanglement wedge to be the same for all states in the code space. In developing this theorem, we construct an emergent bulk geometry for general quantum codes, defining ``areas'' associated to arbitrary logical subsystems, and argue that this definition is ``functionally unique.'' We also formalize a definition of bulk reconstruction that we call ``state-specific product unitary’’ reconstruction. This definition captures the quantum error correction (QEC) properties present in holographic codes and has potential independent interest as a very broad generalization of QEC; it includes most traditional versions of QEC as special cases. Our results extend to approximate codes, and even to the ``non-isometric codes'' that seem to describe the interior of a black hole at late times.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Review of the 1st EUV Light Sources Code Comparison Workshop

We review the results of the 1 st Extreme Ultraviolet (EUV) Light Sources Code Comparison Workshop. The goal of this workshop was to provide a platform for specialists in EUV light source plasma modeling to benchmark and validate their numerical codes using well-defined case studies. Detailed consideration of a plethora of atomic collisional and radiative processes is required for modeling EUV light source plasmas. Eight institutions spanning four countries contributed data to the workshop. Two topics were addressed, namely (i) the atomic kinetics and radiative properties of tin plasmas under EUV-generating conditions and (ii) laser absorption in a fully ionized, one-dimensional hydrogen plasma. In this paper, we summarize the key findings of the workshop and outline plans for future iterations of the code comparison activity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Homological Invariants of Pauli Stabilizer Codes

Abstract We study translationally invariant Pauli stabilizer codes with qudits of arbitrary, not necessarily uniform, dimensions. Using homological methods, we define a series of invariants called charge modules. We describe their properties and physical meaning. The most complete results are obtained for codes whose charge modules have Krull dimension zero. This condition is interpreted as mobility of excitations. We show that it is always satisfied for translation invariant 2D codes with unique ground state in infinite volume, which was previously known only in the case of uniform, prime qudit dimension. For codes all of whose excitations are mobile we construct a p-dimensional excitation and a $$(D-p-1)$$ ( D - p - 1 ) -form symmetry for every element of thep-th charge module. Moreover, we define a braiding pairing between charge modules in complementary degrees. We discuss examples which illustrate how charge modules and braiding can be computed in practice.

Physics↗