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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Investigation of the OECD/NEA PWR MOX/UO{sub 2} core transient benchmark using a coupled whole core pin-by-pin route in WIMS

This paper investigates the new CAMELOT coupling route developed in WIMS, which uses prepared tabulated cross-sections combined with the flux solver MERLIN module and the integrated sub-channel thermal hydraulics solver ARTHUR module to solve for the coupled core state. This coupling route is applied to the OECD/NEA pressurized water reactor (PWR) core transient benchmark exercise, involving 3-D neutronics and thermal-hydraulics analysis of a full-sized PWR core featuring MOX fuel at various core states, as well as simulating a control rod ejection transient. Analysis of the results for each part of the benchmark demonstrate that the high-resolution pin-by-pin analysis used in WIMS closely matches the other participants in the benchmark, with differences of between 20-200 pcm for k-effective, 1-2.5% RMS difference for assembly-averaged powers, 2-8% difference in rod worth calculations, < 200 ppm for calculations of critical boron concentration, zero difference in delayed neutron fraction calculation and a very close match for power response to the rod ejection transient. This is the first application of the WIMS-CAMELOT approach for the transient analysis of a full-sized reactor and as such further improvements such as reducing computational cost through parallelization, optimisation and memory reduction, are currently in active development. This paper demonstrates the accuracy and flexibility of the CAMELOT coupling route, providing a straightforward and consistent user image that can be easily used for a variety of modelling problems involving coupled neutronics and thermal-hydraulics. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Accelerated Constrained Sparse Tensor Factorization on Massively Parallel Architectures

This study presents the first constrained sparse tensor factorization (cSTF) framework that optimizes and fully offloads computation to massively parallel GPU architectures, and the first performance characterization of cSTF on GPU architectures. In contrast to prior work on tensor factorization, where the matricized tensor times Khatri-Rao product (MTTKRP) is the primary performance bottleneck, our systematic analysis of the cSTF algorithm on GPUs reveals that adding constraints creates an additional bottleneck in the update operation for many real-world sparse tensors. While executing the update operation on the GPU brings significant speedup over its CPU counterpart, it remains a significant bottleneck. To further accelerate the update operation, we propose cuADMM, a new update algorithm that leverages algorithmic and code optimization strategies to minimize both computation and data movement on GPUs. As a result, our framework delivers significantly improved performance compared to prior state-of-the-art. On 10 real-world sparse tensors, our framework achieves geometric mean speedup of 5.1 × (max 41.59 ×) and 7.01 × (max 58.05 ×) on the NIVIDA A100 and H100 GPUs, respectively, over the state-of-the-art SPLATT library running on a 26-core Intel Ice Lake Xeon CPU.

Soh, Yongseok↗
NASA NTRS1994

Performance Metrics for Monitoring Parallel Program Executions

Existing tools for debugging performance of parallel programs either provide graphical representations of program execution or profiles of program executions. However, for performance debugging tools to be useful, such information has to be augmented with information that highlights the cause of poor program performance. Identifying the cause of poor performance necessitates the need for not only determining the significance of various performance problems on the execution time of the program, but also needs to consider the effect of interprocessor communications of individual source level data structures. In this paper, we present a suite of normalized indices which provide a convenient mechanism for focusing on a region of code with poor performance and highlights the cause of the problem in terms of processors, procedures and data structure interactions. All the indices are generated from trace files augmented with data structure information.. Further, we show with the help of examples from the NAS benchmark suite that the indices help in detecting potential cause of poor performance, based on augmented execution traces obtained by monitoring the program.

Sarukkai, Sekkar R.↗
NASA NTRS1994

Compute Server Performance Results

Parallel-vector supercomputers have been the workhorses of high performance computing. As expectations of future computing needs have risen faster than projected vector supercomputer performance, much work has been done investigating the feasibility of using Massively Parallel Processor systems as supercomputers. An even more recent development is the availability of high performance workstations which have the potential, when clustered together, to replace parallel-vector systems. We present a systematic comparison of floating point performance and price-performance for various compute server systems. A suite of highly vectorized programs was run on systems including traditional vector systems such as the Cray C90, and RISC workstations such as the IBM RS/6000 590 and the SGI R8000. The C90 system delivers 460 million floating point operations per second (FLOPS), the highest single processor rate of any vendor. However, if the price-performance ration (PPR) is considered to be most important, then the IBM and SGI processors are superior to the C90 processors. Even without code tuning, the IBM and SGI PPR's of 260 and 220 FLOPS per dollar exceed the C90 PPR of 160 FLOPS per dollar when running our highly vectorized suite,

Stockdale, I. E.↗
DOE OSTI2020

Gyrokinetic particle simulations of interactions between energetic particles and magnetic islands induced by neoclassical tearing modes

Interactions between energetic particles (EPs) and neoclassical tearing mode (NTM) islands in the DIII-D tokamak are studied using the global gyrokinetic toroidal code (GTC). GTC simulations find that the EP radial profile is partially flattened within the magnetic island regions and that there are stochastic regions in the particle phase space. Radial particle flux is induced mainly around the magnetic island regions and decreases with time to almost zero when the initial EP distribution achieves a new steady-state in the absence of EP sources. Stochastic regions of magnetic field lines induced by the superposition of multiple islands have weak effects on the particle flux when the width of stochastic regions is smaller than the EP drift orbit width. In conclusion, the perturbed parallel EP current induced by the magnetic islands has weak stabilizing effects on the linear growth rate of the NTM instability in this DIII-D experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Parameter Optimization Toolbox for NS-3 network optimization, NS-3 Parameter Optimization Framework [SWR-18-60]

This simulation-based parameter optimization framework is proposed to tune parameters of different types of communication networks using ns-3 to achieve the optimal network performance. It consists of three main components: an ns-3 packet reporting module; a sampler running simulations with all possible parameter sets for the input parameter variables by using a parallel executor at each generation; and a hybrid optimization algorithm for tuning configurable parameters of hybrid designs and application parameter variables. The proposed hybrid metaheuristic optimization algorithm combines an evolutionary algorithm with a gradient descent function to quickly achieve an approximate globally optimum solution. This software is designed to be used in a multi-core processing Linux environment and run over a long duration of time. The execution time varies depending mainly upon the nature of the ns-3 configuration being simulated. This software includes a custom ns-3 QoS measurement application which must be included with the ns-3 source code during installation of the software.

Hasandka, Adarsh↗
NASA NTRS2016

Near-Body Grid Adaption for Overset Grids

A solution adaption capability for curvilinear near-body grids has been implemented in the OVERFLOW overset grid computational fluid dynamics code. The approach follows closely that used for the Cartesian off-body grids, but inserts refined grids in the computational space of original near-body grids. Refined curvilinear grids are generated using parametric cubic interpolation, with one-sided biasing based on curvature and stretching ratio of the original grid. Sensor functions, grid marking, and solution interpolation tasks are implemented in the same fashion as for off-body grids. A goal-oriented procedure, based on largest error first, is included for controlling growth rate and maximum size of the adapted grid system. The adaption process is almost entirely parallelized using MPI, resulting in a capability suitable for viscous, moving body simulations. Two- and three-dimensional examples are presented.

Buning, Pieter G.↗
NASA NTRS2016

Development of Multi-Physics Dynamics Models for High-Frequency Large-Amplitude Structural Response Simulation

An analytic approach is demonstrated to reveal potential pyroshock-driven dynamic effects causing power losses in the Thermo-Electric (TE) module bars of the Mars Science Laboratory (MSL) Multi-Mission Radioisotope Thermoelectric Generator (MMRTG). This study utilizes high-fidelity finite element analysis with SIERRA/PRESTO codes to estimate wave propagation effects due to large-amplitude suddenly-applied pyro shock loads in the MMRTG. A high fidelity model of the TE module bar was created with approximately 30 million degrees-of-freedom (DOF). First, a quasi-static preload was applied on top of the TE module bar, then transient tri-axial acceleration inputs were simultaneously applied on the preloaded module. The applied input acceleration signals were measured during MMRTG shock qualification tests performed at the Jet Propulsion Laboratory. An explicit finite element solver in the SIERRA/PRESTO computational environment, along with a 3000 processor parallel super -computing framework at NASA AMES, was used for the simulation. The simulation results were investigated both qualitatively and quantitatively. The predicted shock wave propagation results provide detailed structural responses throughout the TE module bar, and key insights into the dynamic response (i.e., loads, displacements, accelerations) of critical internal spring/piston compression systems, TE materials, and internal component interfaces in the MMRTG TE module bar. They also provide confidence on the viability of this high-fidelity modeling scheme to accurately predict shock wave propagation patterns within complex structures. This analytic approach is envisioned for modeling shock sensitive hardware susceptible to intense shock environments positioned near shock separation devices in modern space vehicles and systems.

Shock Waves↗
NASA NTRS1993

Discrete ordinates solutions of nongray radiative transfer with diffusely reflecting walls

Nongray gas radiation in a plane parallel slab bounded by gray, diffusely reflecting walls is studied using the discrete ordinates method. The spectral equation of transfer is averaged over a narrow wavenumber interval preserving the spectral correlation effect. The governing equations are derived by considering the history of multiple reflections between two reflecting wails. A closure approximation is applied so that only a finite number of reflections have to be explicitly included. The closure solutions express the physics of the problem to a very high degree and show relatively little error. Numerical solutions are obtained by applying a statistical narrow-band model for gas properties and a discrete ordinates code. The net radiative wail heat fluxes and the radiative source distributions are obtained for different temperature profiles. A zeroth-degree formulation, where no wall reflection is handled explicitly, is sufficient to predict the radiative transfer accurately for most cases considered, when compared with increasingly accurate solutions based on explicitly tracing a larger number of wail reflections without any closure approximation applied.

Menart, J. A.↗
DOE OSTI2025

Similarity for downscaled kinetic simulations of electrostatic plasmas: Reconciling the large system size with small Debye length

A simple similarity has been proposed for kinetic (e.g., particle-in-cell) simulations of plasma transport that can effectively address the long-standing challenge of reconciling the tiny Debye length with the vast system size. This applies to both transport in unmagnetized plasma and parallel transport in magnetized plasmas, where the characteristics length scales are given by the Debye length, collisional mean free paths, and the system or gradient lengths. The controlled scaled variables are the configuration space, x/L, and an artificial Coulomb Logarithm, L ln Λ, for collisions, while the scaled time, t/L, and electric field, LE, are automatic outcomes. The similarity properties are examined, demonstrating that the macroscopic transport physics is preserved through a similarity transformation while keeping the microscopic physics at its original scale of Debye length. To showcase the utility of this approach, two examples of 1D plasma transport problems were simulated using the VPIC code: the plasma thermal quench in tokamaks [Li et al., Nuclear Fusion 63, 066030 (2023)] and the plasma sheath in the high-recycling regime [Li et al., Physics of Plasmas 30, 063505 (2023)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Towards exascale for wind energy simulations

We examine large-eddy-simulation modeling approaches and computational performance of two open-source computational fluid dynamics codes for the simulation of atmospheric boundary layer flows that are of direct relevance to wind energy production. The first code, NekRS, is a high-order, unstructured-grid, spectral element code. The second code, AMR-Wind, is a second-order, block-structured, finite-volume code with adaptive mesh refinement capabilities. The objective of this study is to co-develop these codes in order to improve model fidelity and performance for each. These features will be critical for running ABL-based applications such as wind farm analysis on advanced computing architectures. To this end, we investigate the performance of NekRS and AMR-Wind on the Oak Ridge Leadership Facility supercomputers Summit, using 4 to 800 nodes (24 to 4,800 NVIDIA V100 GPUs), and Crusher, the testbed for the Frontier exascale system, using 18 to 384 Graphics Compute Dies on AMD MI250X GPUs. We compare strong- and weak-scaling capabilities, linear solver performance, and time to solution. We also identify leading inhibitors to parallel scaling.

17 WIND ENERGY↗
NASA NTRS2003

The Electric Propulsion Interactions Code (EPIC): A Member of the NASA Space Environment and Effects Program (SEE) Toolset

Science Applications International Corporation is currently developing the Electric Propulsion Interactions Code, EPIC, as part of a project sponsored by the Space Environments and Effects Program at NASA Marshall Space Flight Center. Now in its second year of development, EPIC is an interactive computer toolset that allows the construction of a 3-D spacecraft model, and the assessment of a variety of interactions between its subsystems and the plume from an electric thruster. This paper reports on the progress of EPZC including the recently added ability to exchange results the NASA Charging Analyzer Program, Nascap-2k. The capability greatly enhances EPIC's range of applicability. Expansion of the toolset's various physics models proceeds in parallel with the overall development of the software. Also presented are recent upgrades of the elastic scattering algorithm in the electric propulsion Plume Tool. These upgrades are motivated by the need to assess the effects of elastically scattered ions on the SIC for ion beam energies that exceed loo0 eV. Such energy levels are expected in future high-power (>10 kW) ion propulsion systems empowered by nuclear sources.

Mikellides, Ioannis G.↗
DOE OSTI2022

Implementation of a practical Markov chain Monte Carlo sampling algorithm in PyBioNetFit

Abstract Summary Bayesian inference in biological modeling commonly relies on Markov chain Monte Carlo (MCMC) sampling of a multidimensional and non-Gaussian posterior distribution that is not analytically tractable. Here, we present the implementation of a practical MCMC method in the open-source software package PyBioNetFit (PyBNF), which is designed to support parameterization of mathematical models for biological systems. The new MCMC method, am, incorporates an adaptive move proposal distribution. For warm starts, sampling can be initiated at a specified location in parameter space and with a multivariate Gaussian proposal distribution defined initially by a specified covariance matrix. Multiple chains can be generated in parallel using a computer cluster. We demonstrate that am can be used to successfully solve real-world Bayesian inference problems, including forecasting of new Coronavirus Disease 2019 case detection with Bayesian quantification of forecast uncertainty. Availability and implementation PyBNF version 1.1.9, the first stable release with am, is available at PyPI and can be installed using the pip package-management system on platforms that have a working installation of Python 3. PyBNF relies on libRoadRunner and BioNetGen for simulations (e.g. numerical integration of ordinary differential equations defined in SBML or BNGL files) and Dask.Distributed for task scheduling on Linux computer clusters. The Python source code can be freely downloaded/cloned from GitHub and used and modified under terms of the BSD-3 license (https://github.com/lanl/pybnf). Online documentation covering installation/usage is available (https://pybnf.readthedocs.io/en/latest/). A tutorial video is available on YouTube (https://www.youtube.com/watch?v=2aRqpqFOiS4&t=63s). Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

Current collection in a flowing magnetoplasma

Effects of plasma drift on the current collection by a long conducting cylinder in a magnetized plasma is studied by means of a 2 1/2 dimensional PIC code. It is found that for the drift velocity (V sub 0) perpendicular to the magnetic field (B sub 0), the electron current collected by a positive cylinder is considerably enhanced depending on the drift velocity. The distributions of plasma and the potential structure around the cylinder for several relative orientations between V sub 0 and B are presented along with the comparisons of current with and without the magnetic field. Simulations with the magnetic field in the simulation plane show that the potential structures around the cylinder are two-dimensional double layers with dimension (L) perpendicular to B much smaller than the dimension (L) parallel to B. In fact, L perpendicular is found to be approximately determined by the current limiting radius given by the Parker-Murphy model. However, it is found that the collected currents in the simulations are generally higher than those given by this model.

Singh, Nagendra↗
NASA NTRS2009

Physical Processes for Driving Ionospheric Outflows in Global Simulations

We review and assess the importance of processes thought to drive ionospheric outflows, linking them as appropriate to the solar wind and interplanetary magnetic field, and to the spatial and temporal distribution of their magnetospheric internal responses. These begin with the diffuse effects of photoionization and thermal equilibrium of the ionospheric topside, enhancing Jeans' escape, with ambipolar diffusion and acceleration. Auroral outflows begin with dayside reconnexion and resultant field-aligned currents and driven convection. These produce plasmaspheric plumes, collisional heating and wave-particle interactions, centrifugal acceleration, and auroral acceleration by parallel electric fields, including enhanced ambipolar fields from electron heating by precipitating particles. Observations and simulations show that solar wind energy dissipation into the atmosphere is concentrated by the geomagnetic field into auroral regions with an amplification factor of 10-100, enhancing heavy species plasma and gas escape from gravity, and providing more current carrying capacity. Internal plasmas thus enable electromagnetic driving via coupling to the plasma, neutral gas and by extension, the entire body " We assess the Importance of each of these processes in terms of local escape flux production as well as global outflow, and suggest methods for their implementation within multispecies global simulation codes. We complete 'he survey with an assessment of outstanding obstacles to this objective.

Moore, Thomas Earle↗
DOE OSTI2026

Vision and Development of a Design, Implementation, and Verification Automation (DIVA) Software Platform for DNA Construction

Abstract DNA construction, while a prerequisite to many biological endeavors, is often a time-consuming distraction from an individual’s primary research objectives. We envisioned that with the right software infrastructure and cultural mindset, a single person could execute in parallel the batched DNA construction tasks of an entire research institute, at scales realizing efficiency gains through process and laboratory automation. In pursuit of this vision, we developed the Design, Implementation, and Verification Automation (DIVA) software platform. DIVA’s web interface enables researchers to design DNA constructs (using visual biological computer-aided design tools and biological parts repositories), submit designs for construction to dedicated staff, and track DNA construction as it progresses. DIVA supports the dedicated staff through the DNA construction process and records both successful and unsuccessful attempts toward improving the overall process. The platform is publicly available at public-diva.jbei.org and its open-source code through github.com/JBEI/DIVA.

Plahar, Hector [DOE Agile BioFoundry , , ,; DOE Jo↗
NASA NTRS1992

The contribution of ion-cyclotron waves to electron heating and SAR-arc excitation near the storm-time plasmapause

The potential role of ion-cyclotron waves in the electron heating process has been studied, using the HOTRAY code. It is demonstrated that ion-cyclotron waves can play an important role in both the energy transfer to plasmaspheric electrons and the subsequent downward heat conduction to SAR arc altitudes. In particular, such waves can experience enhanced path integrated amplification along the steep plasmapause density gradient. The latter tends to keep the wave normal angle small on several successive bounces across the equator, thus allowing cyclotron-resonant amplification leading to a total gain of up to 20 e-foldings. When the wave propagation vector becomes highly oblique, absorption occurs during Landau resonance with thermal plasmaspheric electrons, increasing the electron temperature in the direction parallel to the ambient field and leading directly to heat conduction into ionosphere.

Thorne, Richard M.↗
NASA NTRS2011

Excitation of a Parallel Plate Waveguide by an Array of Rectangular Waveguides

This work addresses the problem of excitation of a parallel plate waveguide by an array of rectangular waveguides that arises in applications such as the continuous transverse stub (CTS) antenna and dual-polarized parabolic cylindrical reflector antennas excited by a scanning line source. In order to design the junction region between the parallel plate waveguide and the linear array of rectangular waveguides, waveguide sizes have to be chosen so that the input match is adequate for the range of scan angles for both polarizations. Electromagnetic wave scattered by the junction of a parallel plate waveguide by an array of rectangular waveguides is analyzed by formulating coupled integral equations for the aperture electric field at the junction. The integral equations are solved by the method of moments. In order to make the computational process efficient and accurate, the method of weighted averaging was used to evaluate rapidly oscillating integrals encountered in the moment matrix. In addition, the real axis spectral integral is evaluated in a deformed contour for speed and accuracy. The MoM results for a large finite array have been validated by comparing its reflection coefficients with corresponding results for an infinite array generated by the commercial finite element code, HFSS. Once the aperture electric field is determined by MoM, the input reflection coefficients at each waveguide port, and coupling for each polarization over the range of useful scan angles, are easily obtained. Results for the input impedance and coupling characteristics for both the vertical and horizontal polarizations are presented over a range of scan angles. It is shown that the scan range is limited to about 35 for both polarizations and therefore the optimum waveguide is a square of size equal to about 0.62 free space wavelength.

Rengarajan, Sembiam↗

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