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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Enhancing Kokkos with OpenACC

C++ template metaprogramming has emerged as a prominent approach for achieving performance portability in heterogeneous computing. Kokkos represents a notable paradigm in this domain, offering programmers a suite of high-level abstractions for generic programming while deferring much of the device-specific code generation and optimization to the compiler through template specializations. Kokkos furnishes a range of device-specific code specializations across multiple back ends, including CUDA and HIP. Diverging from conventional back ends, the OpenACC implementation presents a high-level, multicompiler, multidevice, and directive-based programming model. This paper presents recent advancements in the OpenACC back end for Kokkos (i.e., KokkACC) and focuses on its integration into the Kokkos ecosystem, exploration of automatic device selection capabilities to enhance productivity, and performance evaluation on modern hardware such as NVIDIA H100 GPUs. The study includes implementation details and a thorough performance assessment across various computational benchmarks, including minibenchmarks (AXPY and DOT product), miniapps (LULESH, MiniFE, and SNAP-LAMMPS), and a scientific kernel based on the lattice Boltzmann method.

Valero Lara, Pedro↗
DOE OSTI2026

CAD-VAE: Leveraging Correlation-Aware Latents for Comprehensive Fair Disentanglement

While deep generative models have significantly advanced representation learning, they may inherit or amplify biases and fairness issues by encoding sensitive attributes alongside predictive features. Enforcing strict independence in disentanglement is often unrealistic when target and sensitive factors are naturally correlated. To address this challenge, we propose CAD-VAE(Correlation-Aware Disentangled VAE), which introduces a correlated latent code to capture the information shared between the target and sensitive attributes. Given this correlated latent, our method effectively separates over-lapping factors without extra domain knowledge by directly minimizing the conditional mutual information between target and sensitive codes. A relevance-driven optimization strategy refines the correlated code by efficiently capturing essential correlated features and eliminating redundancy. Extensive experiments on benchmark datasets demonstrate that CAD-VAE produces fairer representations, realistic counterfactuals, and improved fairness-aware image editing.

Ma, Chenrui [University of California Irvine]↗
NASA NTRS1987

The design of trellis codes for fading channels

The appropriate criterion for optimum trellis coded modulation design on the additive white Gaussian noise channel is maximization of the free Euclidean distance. When trellis coded modulation is used on a Rician fading channel with interleaving/deinterleaving, the design of the code for optimum performance is guided by other factors, in particular the length of the shortest error event path, and the product of branch distances (possibly normalized by the Euclidean distance of the path) along that path. Although maximum free distance (d sub free) is still an important consideration, it plays a less significant role the more severe the fading is on the channel. These considerations lead to the definition of a new distance measure for optimization of trellis codes transmitted over Rician fading channels. If no interleaving/deinterleaving is used, then once again the design of the trellis code is guided by maximizing d sub free. It is also shown that allowing for multiple symbols per trellis branch, i.e., multiple trellis coded modulation (MTCM), provides an additional degree of freedom for designing a code to meet the above optimization criteria on the fading channel. It is here where the MTCM technique exploits its full potential.

Divsalar, Dariush↗
DOE OSTI2017

QSL Squasher: A Fast Quasi-separatrix Layer Map Calculator

Quasi-Separatrix Layers (QSLs) are a useful proxy for the locations where current sheets can develop in the solar corona, and give valuable information about the connectivity in complicated magnetic field configurations. However, calculating QSL maps, even for two-dimensional slices through three-dimensional models of coronal magnetic fields, is a non-trivial task, as it usually involves tracing out millions of magnetic field lines with immense precision. Thus, extending QSL calculations to three dimensions has rarely been done until now. In order to address this challenge, we present QSL Squasher—a public, open-source code, which is optimized for calculating QSL maps in both two and three dimensions on graphics processing units. The code achieves large processing speeds for three reasons, each of which results in an order-of-magnitude speed-up. (1) The code is parallelized using OpenCL. (2) The precision requirements for the QSL calculation are drastically reduced by using perturbation theory. (3) A new boundary detection criterion between quasi-connectivity domains is used, which quickly identifies possible QSL locations that need to be finely sampled by the code. That boundary detection criterion relies on finding the locations of abrupt field-line length changes, which we do by introducing a new Field-line Length Edge (FLEDGE) map. We find FLEDGE maps useful on their own as a quick-and-dirty substitute for QSL maps. QSL Squasher allows construction of high-resolution 3D FLEDGE maps in a matter of minutes, which is two orders of magnitude faster than calculating the corresponding 3D QSL maps. We include a sample of calculations done using QSL Squasher to demonstrate its capabilities as a QSL calculator, as well as to compare QSL and FLEDGE maps.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Digital autofocusing of a coded-aperture Laue diffraction microscope

To provide optimal depth resolution with a coded-aperture Laue diffraction microscope, an accurate position of the coded-aperture and its scanning geometry need to be known. However, finding the geometry by trial and error is a time-consuming and often challenging process because of the large number of parameters involved. In this paper, we propose an optimization approach to automate the focusing process after data is collected. Here we demonstrate the robustness and efficiency of the proposed approach with experimental data taken at a synchrotron facility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

SU-E-T-254: Optimization of GATE and PHITS Monte Carlo Code Parameters for Uniform Scanning Proton Beam Based On Simulation with FLUKA General-Purpose Code

Purpose: Monte Carlo codes are becoming important tools for proton beam dosimetry. However, the relationships between the customizing parameters and percentage depth dose (PDD) of GATE and PHITS codes have not been reported which are studied for PDD and proton range compared to the FLUKA code and the experimental data. Methods: The beam delivery system of the Indiana University Health Proton Therapy Center was modeled for the uniform scanning beam in FLUKA and transferred identically into GATE and PHITS. This computational model was built from the blue print and validated with the commissioning data. Three parameters evaluated are the maximum step size, cut off energy and physical and transport model. The dependence of the PDDs on the customizing parameters was compared with the published results of previous studies. Results: The optimal parameters for the simulation of the whole beam delivery system were defined by referring to the calculation results obtained with each parameter. Although the PDDs from FLUKA and the experimental data show a good agreement, those of GATE and PHITS obtained with our optimal parameters show a minor discrepancy. The measured proton range R90 was 269.37 mm, compared to the calculated range of 269.63 mm, 268.96 mm, and 270.85 mm with FLUKA, GATE and PHITS, respectively. Conclusion: We evaluated the dependence of the results for PDDs obtained with GATE and PHITS Monte Carlo generalpurpose codes on the customizing parameters by using the whole computational model of the treatment nozzle. The optimal parameters for the simulation were then defined by referring to the calculation results. The physical model, particle transport mechanics and the different geometrybased descriptions need accurate customization in three simulation codes to agree with experimental data for artifact-free Monte Carlo simulation. This study was supported by Grants-in Aid for Cancer Research (H22-3rd Term Cancer Control-General-043) from the Ministry of Health, Labor and Welfare of Japan, Grants-in-Aid for Scientific Research (No. 23791419), and JSPS Core-to-Core program (No. 23003). The authors have no conflict of interest.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Pebble-bed pebble motion: Simulation and Applications

Pebble bed reactors (PBR) have moving graphite fuel pebbles. This unique feature provides advantages, but also means that simulation of the reactor requires understanding the typical motion and location of the granular flow of pebbles. This report presents a method for simulation of motion of the pebbles in a PBR. A new mechanical motion simulator, PEBBLES, efficiently simulates the key elements of motion of the pebbles in a PBR. This model simulates gravitational force and contact forces including kinetic and true static friction. It's used for a variety of tasks including simulation of the effect of earthquakes on a PBR, calculation of packing fractions, Dancoff factors, pebble wear and the pebble force on the walls. The simulator includes a new differential static friction model for the varied geometries of PBRs. A new static friction benchmark was devised via analytically solving the mechanics equations to determine the minimum pebble-to-pebble friction and pebble-to-surface friction for a five pebble pyramid. This pyramid check as well as a comparison to the Janssen formula was used to test the new static friction equations. Because larger pebble bed simulations involve hundreds of thousands of pebbles and long periods of time, the PEBBLES code has been parallelized. PEBBLES runs on shared memory architectures and distributed memory architectures. For the shared memory architecture, the code uses a new O(n) lock-less parallel collision detection algorithm to determine which pebbles are likely to be in contact. The new collision detection algorithm improves on the traditional non-parallel O(n log(n)) collision detection algorithm. These features combine to form a fast parallel pebble motion simulation. The PEBBLES code provides new capabilities for understanding and optimizing PBRs. The PEBBLES code has provided the pebble motion data required to calculate the motion of pebbles during a simulated earthquake. The PEBBLES code provides the ability to determine the contact forces and the lengths of motion in contact. This information combined with the proper wear coefficients can be used to determine the dust production from mechanical wear. These new capabilities enhance the understanding of PBRs, and the capabilities of the code will allow future improvements in understanding.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1983

Overview of Code Verification

The verified code for the SIFT Executive is not the code that executes on the SIFT system as delivered. The running versions of the SIFT Executive contain optimizations and special code relating to the messy interface to the hardware broadcast interface and to packing of data to conserve space in the store of the BDX930 processors. The running code was in fact developed prior to and without consideration of any mechanical verification. This was regarded as necessary experimentation with the SIFT hardware and special purpose Pascal compiler. The Pascal code sections cover: the selection of a schedule from the global executive broadcast, scheduling, dispatching, three way voting, and error reporting actions of the SIFT Executive. Not included in these sections of Pascal code are: the global executive, five way voting, clock synchronization, interactive consistency, low level broadcasting, and program loading, initialization, and schedule construction.

Source record↗
DOE OSTI2011

Phase II Final Report Computer Optimization of Electron Guns

This program implemented advanced computer optimization into an adaptive mesh, finite element, 3D, charged particle code. The routines can optimize electron gun performance to achieve a specified current, beam size, and perveance. It can also minimize beam ripple and electric field gradients. The magnetics optimization capability allows design of coil geometries and magnetic material configurations to achieve a specified axial magnetic field profile. The optimization control program, built into the charged particle code Beam Optics Analyzer (BOA) utilizes a 3D solid modeling package to modify geometry using design tables. Parameters within the graphical user interface (currents, voltages, etc.) can be directly modified within BOA. The program implemented advanced post processing capability for the optimization routines as well as the user. A Graphical User Interface allows the user to set up goal functions, select variables, establish ranges of variation, and define performance criteria. The optimization capability allowed development of a doubly convergent multiple beam gun that could not be designed using previous techniques.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

KokkACC: Enhancing Kokkos with OpenACC

Template metaprogramming is gaining popularity as a high-level solution for achieving performance portability on heterogeneous computing resources. Kokkos is a representative approach that offers programmers high-level abstractions for generic programming while most of the device-specific code generation and optimizations are delegated to the compiler through template specializations. For this, Kokkos provides a set of device-specific code specializations in multiple back ends, such as CUDA and HIP. Unlike CUDA or HIP, OpenACC is a high-level and directive-based programming model. This descriptive model allows developers to insert hints (pragmas) into their code that help the compiler to parallelize the code. The compiler is responsible for the transformation of the code, which is completely transparent to the programmer. This paper presents an OpenACC back end for Kokkos: KokkACC. As an alternative to Kokkos’s existing device-specific back ends, KokkACC is a multi-architecture back end providing a high-productivity programming environment enabled by OpenACC’s high-level and descriptive programming model. Moreover, we have observed competitive performance; in some cases, KokkACC is faster (up to 9×) than NVIDIA’s CUDA back end and much faster than OpenMP’s GPU offloading back end. This work also includes implementation details and a detailed performance study conducted with a set of mini-benchmarks (AXPY and DOT product) and three mini-apps (LULESH, miniFE and SNAP, a LAMMPS proxy mini-app).

Valero Lara, Pedro↗
DOE OSTI2011

SU (2) lattice gauge theory simulations on Fermi GPUs

In this work we explore the performance of CUDA in quenched lattice SU (2) simulations. CUDA, NVIDIA Compute Unified Device Architecture, is a hardware and software architecture developed by NVIDIA for computing on the GPU. We present an analysis and performance comparison between the GPU and CPU in single and double precision. Analyses with multiple GPUs and two different architectures (G200 and Fermi architectures) are also presented. In order to obtain a high performance, the code must be optimized for the GPU architecture, i.e., an implementation that exploits the memory hierarchy of the CUDA programming model. We produce codes for the Monte Carlo generation of SU (2) lattice gauge configurations, for the mean plaquette, for the Polyakov Loop at finite T and for the Wilson loop. We also present results for the potential using many configurations (50,000) without smearing and almost 2000 configurations with APE smearing. With two Fermi GPUs we have achieved an excellent performance of 200x the speed over one CPU, in single precision, around 110 Gflops/s. We also find that, using the Fermi architecture, double precision computations for the static quark-antiquark potential are not much slower (less than 2x slower) than single precision computations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1992

Design tradeoffs on engine-integrated hypersonic vehicles

Two classes of airbreathing hypersonic vehicle concepts, one for primarily cruise missions and the other for accelerator type missions, are presented. Both are designed with waverider airframes and hydrogen-fueled scramjet engine modules. Cruise configurations are optimized for the product of I(sp) and L/D while matching lift to weight and thrust to drag at some equivalence ratio. Accelerator configurations are optimized for effective specific impulse while matching lift to weight at an equivalence ratio of one. The method and computer code developed to optimize the configurations are discussed. The features and design tradeoffs for each class of vehicles are described. Recently available weight estimates for all-body waveriders have had a significant impact on the integrated configurations. Mach 8 vehicles at 40 km altitude optimized with the cruise objective function have L/Ds of 2.55 to 2.92 and I(sp)s of 2850 to 2940 sec. A Mach 14 vehicle at 40-km altitude optimized with the accelerator objective function has an I(sp) sub eff of 189 sec, and a Mach 10 vehicle an I(sp) sub eff of 880 sec.

O'Neill, Mary Kae L.↗
DOE OSTI2024

Gradient Coding With Iterative Block Leverage Score Sampling

Gradient coding is a method for mitigating straggling servers in a centralized computing network that uses erasure-coding techniques to distributively carry out first-order optimization methods. Randomized numerical linear algebra uses randomization to develop improved algorithms for large-scale linear algebra computations. In this study, we propose a method for distributed optimization that combines gradient coding and randomized numerical linear algebra. The proposed method uses a randomized ℓ 2 -subspace embedding and a gradient coding technique to distribute blocks of data to the computational nodes of a centralized network, and at each iteration the central server only requires a small number of computations to obtain the steepest descent update. The novelty of our approach is that the data is replicated according to importance scores, called block leverage scores, in contrast to most gradient coding approaches that uniformly replicate the data blocks. Furthermore, we do not require a decoding step at each iteration, avoiding a bottleneck in previous gradient coding schemes. We show that our approach results in a valid ℓ 2 -subspace embedding, and that our resulting approximation converges to the optimal solution.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1978

An iterative algorithm for decoding block codes transmitted over a memoryless channel

An algorithm was developed which optimally decodes a block code for minimum probability of symbol error in an iterative manner. The initial estimate is made by looking at each bit independently and is improved by considering bits related to it through the parity check equations. The dependent bits are considered in order of interesting probability of error. Since the computation proceeds in a systematic way with the bits having the greatest effect being used first, the algorithm approaches the optimum estimate after only a fraction of the parity check equations were used.

Greenberger, H. J.↗
DOE OSTI2015

Validation of hydrogen gas stratification and mixing models

Two validation benchmarks confirm that the BMIX++ code is capable of simulating unintended hydrogen release scenarios efficiently. The BMIX++ (UC Berkeley mechanistic MIXing code in C++) code has been developed to accurately and efficiently predict the fluid mixture distribution and heat transfer in large stratified enclosures for accident analyses and design optimizations. The BMIX++ code uses a scaling based one-dimensional method to achieve large reduction in computational effort compared to a 3-D computational fluid dynamics (CFD) simulation. Two BMIX++ benchmark models have been developed. One is for a single buoyant jet in an open space and another is for a large sealed enclosure with both a jet source and a vent near the floor. Both of them have been validated by comparisons with experimental data. Excellent agreements are observed. The entrainment coefficients of 0.09 and 0.08 are found to fit the experimental data for hydrogen leaks with the Froude number of 99 and 268 best, respectively. In addition, the BIX++ simulation results of the average helium concentration for an enclosure with a vent and a single jet agree with the experimental data within a margin of about 10% for jet flow rates ranging from 1.21 × 10⁻⁴ to 3.29 × 10⁻⁴ m³/s. In conclusion, computing time for each BMIX++ model with a normal desktop computer is less than 5 min.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2013

Bilayer Protograph Codes for Half-Duplex Relay Channels

Direct to Earth return links are limited by the size and power of lander devices. A standard alternative is provided by a two-hops return link: a proximity link (from lander to orbiter relay) and a deep-space link (from orbiter relay to Earth). Although direct to Earth return links are limited by the size and power of lander devices, using an additional link and a proposed coding for relay channels, one can obtain a more reliable signal. Although significant progress has been made in the relay coding problem, existing codes must be painstakingly optimized to match to a single set of channel conditions, many of them do not offer easy encoding, and most of them do not have structured design. A high-performing LDPC (low-density parity-check) code for the relay channel addresses simultaneously two important issues: a code structure that allows low encoding complexity, and a flexible rate-compatible code that allows matching to various channel conditions. Most of the previous high-performance LDPC codes for the relay channel are tightly optimized for a given channel quality, and are not easily adapted without extensive re-optimization for various channel conditions. This code for the relay channel combines structured design and easy encoding with rate compatibility to allow adaptation to the three links involved in the relay channel, and furthermore offers very good performance. The proposed code is constructed by synthesizing a bilayer structure with a pro to graph. In addition to the contribution to relay encoding, an improved family of protograph codes was produced for the point-to-point AWGN (additive white Gaussian noise) channel whose high-rate members enjoy thresholds that are within 0.07 dB of capacity. These LDPC relay codes address three important issues in an integrative manner: low encoding complexity, modular structure allowing for easy design, and rate compatibility so that the code can be easily matched to a variety of channel conditions without extensive re-optimization. The main problem of half-duplex relay coding can be reduced to the simultaneous design of two codes at two rates and two SNRs (signal-to-noise ratios), such that one is a subset of the other. This problem can be addressed by forceful optimization, but a clever method of addressing this problem is via the bilayer lengthened (BL) LDPC structure. This method uses a bilayer Tanner graph to make the two codes while using a concept of "parity forwarding" with subsequent successive decoding that removes the need to directly address the issue of uneven SNRs among the symbols of a given codeword. This method is attractive in that it addresses some of the main issues in the design of relay codes, but it does not by itself give rise to highly structured codes with simple encoding, nor does it give rate-compatible codes. The main contribution of this work is to construct a class of codes that simultaneously possess a bilayer parity- forwarding mechanism, while also benefiting from the properties of protograph codes having an easy encoding, a modular design, and being a rate-compatible code.

Divsalar, Dariush↗
DOE OSTI2012

Steps towards verification and validation of the Fetch code for Level 2 analysis, design, and optimization of aqueous homogeneous reactors

Babcock and Wilcox Technical Services Group (B and W) has identified aqueous homogeneous reactors (AHRs) as a technology well suited to produce the medical isotope molybdenum 99 (Mo-99). AHRs have never been specifically designed or built for this specialized purpose. However, AHRs have a proven history of being safe research reactors. In fact, in 1958, AHRs had 'a longer history of operation than any other type of research reactor using enriched fuel' and had 'experimentally demonstrated to be among the safest of all various type of research reactor now in use [1].' While AHRs have been modeled effectively using simplified 'Level 1' tools, the complex interactions between fluids, neutronics, and solid structures are important (but not necessarily safety significant). These interactions require a 'Level 2' modeling tool. Imperial College London (ICL) has developed such a tool: Finite Element Transient Criticality (FETCH). FETCH couples the radiation transport code EVENT with the computational fluid dynamics code (Fluidity), the result is a code capable of modeling sub-critical, critical, and super-critical solutions in both two-and three-dimensions. Using FETCH, ICL researchers and B and W engineers have studied many fissioning solution systems include the Tokaimura criticality accident, the Y12 accident, SILENE, TRACY, and SUPO. These modeling efforts will ultimately be incorporated into FETCH'S extensive automated verification and validation (V and V) test suite expanding FETCH'S area of applicability to include all relevant physics associated with AHRs. These efforts parallel B and W's engineering effort to design and optimize an AHR to produce Mo99. (authors)

07 ISOTOPE AND RADIATION SOURCES↗