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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 1,099 records · Page 61

Development of a CPU/GPU portable software library for Lagrangian–Eulerian simulations of liquid sprays

The Lagrangian–Eulerian method is widely used for simulations of fuel sprays in turbulent combustion because of the advantage of treating the spray droplets as discrete points. One challenge of the Lagrangian–Eulerian method is the intense computational requirement when tracking the large number of Lagrangian particles needed for high fidelity. We have developed a performance-portable library, Grit, to track the Lagrangian particles in parallel on central processing unit (CPU) and graphics processing unit (GPU) accelerated high performance computing (HPC) architectures. Grit is a C++ library which employs Message Passing Interface (MPI) for distributed memory parallelism and Kokkos programming model for on-node shared memory parallelism with performance portability across different architectures of GPUs and multi-core/manycore CPUs. The parallel algorithms, key parallel kernels, and their performances on the pre-exascale supercomputer, Summit, are presented. Grit is coupled with a direct numerical simulation (DNS) solver, S3D, for multiphase simulations. A conservative formulation has been developed and implemented in Grit for phase coupling with thermodynamic consistency. The formulation separates the conservation of mass, momentum and energy from the physical models to prevent accidental violation of conservation laws due to inconsistent models. The formulation also enforces consistent definitions of enthalpies of the fuel for both phases and the latent heat of evaporation. Finally, simulations of turbulent particle-laden flow and the evaporation of dilute turbulent spray jet are performed to verify the software implementation, and to demonstrate the scalability of Grit for large-scale multiphase simulations.

97 MATHEMATICS AND COMPUTING↗

Extending SST vanadis to Add SIMT Functional Units

Sandia National Laboratories is currently investigating scalable architectural simulation capabilities, with a focus on simulating and evaluating highly scalable supercomputers for high-performance computing applications. This exploration is driven by the shift toward more specialized forms of compute and the need for a more diverse set of accurate models. This project will explore the use of General-Purpose Graphical Processing Units (GPGPUs) in high-performance computing using both physical systems and new simulator models – traditional GPUs as well as tightly-coupled SIMT accelerators.

97 MATHEMATICS AND COMPUTING↗

On the Use of Computers for Teaching Fluid Mechanics

Several approaches for improving the teaching of basic fluid mechanics using computers are presented. There are two objectives to these approaches: to increase the involvement of the student in the learning process and to present information to the student in a variety of forms. Items discussed include: the preparation of educational videos using the results of computational fluid dynamics (CFD) calculations, the analysis of CFD flow solutions using workstation based post-processing graphics packages, and the development of workstation or personal computer based simulators which behave like desk top wind tunnels. Examples of these approaches are presented along with observations from working with undergraduate co-ops. Possible problems in the implementation of these approaches as well as solutions to these problems are also discussed.

Benson, Thomas J.↗

Certification of CFD heat transfer software for turbine blade analysis

Accurate modeling of heat transfer effects is a critical component of the Turbine Branch of the Turbomachinery and Propulsion Systems Division. Being able to adequately predict and model heat flux, coolant flows, and peak temperatures are necessary for the analysis of high pressure turbine blades. To that end, the primary goal of my internship this summer will be to certify the reliability of the CFD program GlennHT for the purpose of turbine blade heat transfer analysis. GlennHT is currently in use by the engineers in the Turbine Branch who use the FORTRAN 77 version of the code for analysis. The program, however, has been updated to a FORTRAN 90 version which is more robust than the older code. In order for the new code to be distributed for use, its reliability must first be certified. Over the course of my internship I will create and run test cases using the FORTRAN 90 version of GlennHT and compare the results to older cases which are known to be accurate, If the results of the new code match those of the sample cases then the newer version will be one step closer to certification for distribution. In order to complete these it will first be necessary to become familiar with operating a number of other programs. Among them are GridPro, which is used to create a grid mesh around a blade geometry, and FieldView, whose purpose is to graphically display the results from the GlennHT program. Once enough familiarity is established with these programs to render them useful, then the work of creating and running test scenarios will begin. The work is additionally complicated by a transition in computer hardware. Most of the working computers in the Turbine Branch are Silicon Graphics machines, which will soon be replaced by LINUX PC's. My project is one of the first to make use the new PC's. The change in system architecture however, has created several software related issues which have greatly increased the time and effort investments required by the project.Although complications with the project continue to arise, it is expected that the goal of my internship can still be achieved within the remaining time period. Critical steps have been achieved and test scenarios can now be designed and run. At the completion of my internship, the FORTRAN 90 version of GlennHT should be well on its way to certification.

Jordan, William A.↗

Production Level CFD Code Acceleration for Hybrid Many-Core Architectures

In this work, a novel graphics processing unit (GPU) distributed sharing model for hybrid many-core architectures is introduced and employed in the acceleration of a production-level computational fluid dynamics (CFD) code. The latest generation graphics hardware allows multiple processor cores to simultaneously share a single GPU through concurrent kernel execution. This feature has allowed the NASA FUN3D code to be accelerated in parallel with up to four processor cores sharing a single GPU. For codes to scale and fully use resources on these and the next generation machines, codes will need to employ some type of GPU sharing model, as presented in this work. Findings include the effects of GPU sharing on overall performance. A discussion of the inherent challenges that parallel unstructured CFD codes face in accelerator-based computing environments is included, with considerations for future generation architectures. This work was completed by the author in August 2010, and reflects the analysis and results of the time.

Duffy, Austen C.↗

Symplectic multi-particle tracking on GPUs

A symplectic multi-particle tracking model is implemented on the Graphic Processing Units (GPUs) using the Compute Unified Device Architecture (CUDA) language. The symplectic tracking model can preserve phase space structure and reduce non-physical effects in long term simulation, which is important for beam property evaluation in particle accelerators. Though this model is computationally expensive, it is very suitable for parallelization and can be accelerated significantly by using GPUs. In this paper, we optimized the implementation of the symplectic tracking model on both single GPU and multiple GPUs. Using a single GPU processor, the code achieves a factor of 2-10 speedup for a range of problem sizes compared with the time on a single state-of-the-art Central Processing Unit (CPU) node with similar power consumption and semiconductor technology. It also shows good scalability on a multi-GPU cluster at Oak Ridge Leadership Computing Facility. In an application to beam dynamics simulation, the GPU implementation helps save more than a factor of two total computing time in comparison to the CPU implementation.

43 PARTICLE ACCELERATORS↗

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications

Here, the increasing availability of graphics processing units (GPUs) for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. However, the complexity of integral kernels for high angular momentum basis functions often limits the utility of GPU implementations with large basis sets or for metal containing systems. In this work, we report the implementation of f function support in the GPU-accelerated TeraChem software package through the development of efficient kernels for the evaluation of Hamiltonian integrals. The high efficiency of the resulting code is demonstrated through density functional theory (DFT) calculations on increasingly large organic molecules and transition metal complexes, as well as coupled cluster singles and doubles calculations on water clusters. Preliminary investigations into Ni(I) catalysis with DFT and the photochemistry of MnH(CH 3 ) with complete active space self-consistent field are also carried out. Overall, our GPU-accelerated software appears to be well-suited for fast simulation of large transition metal containing systems, as well as organic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-Fidelity CFD Simulation of Mixed Convection and Forced Convection in a Pebble Bed Test Reactor Core

The Hermes low-power [35-MW(thermal)] reactor will be built and operated by Kairos Power LLC (KP) to demonstrate its fluoride salt-cooled high-temperature reactor (FHR) technology. In the KP FHR, the reactor core is composed of randomly packed pebbles with TRISO fuel particles inside with FLiBe flow upward through the core acting as a coolant. Previous numerical and experimental studies have been limited to either a small-size bed or to a lack of detailed measurements for heat transfer. Here, to address the lack of high-fidelity heat transfer data in a real-size FHR core, in this study, we simulated a pebble bed core with 34 374 pebbles randomly packed, similar to the Hermes reactor's size. The core radius was 14 times that of the pebble diameter, while the core height was 45 times. In this work, we were particularly interested in a mixed convection regime, where buoyancy is important. Therefore, we performed several large-eddy simulations at different Reynolds numbers (160 to 1000) with gravitational force included. The spectral element computational fluid dynamics code NekRS with graphics processing unit acceleration was used for this study. The low-Mach number approximation was applied to address property changes in the FLiBe and to account for buoyancy. A pure hexahedral mesh with 60 million elements was generated by the Voronoi cell method. At the polynomial order of 5, the total degrees of freedom was 7.5 billion. The developed case in this work is the first of its kind in terms of size and complexity. The local numerical data across the domain were obtained and compared with empirical correlations. After examining the data, we found the following conclusions. For pressure drop, the Reger correlation predicted less than a 5% error. On the other hand, for heat transfer, the Wakao correlation outperformed the others. Based on our findings, we recommend the use of the Wakao correlation for the Nusselt number calculation, and for pressure drop, the KTA (Kerntechnischer Ausschuss) correclation, among the available experimental correlations. In conclusion, the Reger direct numerical simulation-driven correlation for pressure drops should also be considered, given its best agreement with our calculations.

Mixed Convection↗

Big Data as a Service from an Urban Information System

Big Data has already proven itself as a valuable tool that lets geographers and urban researchers utilize large data re- sources to generate new insights. However, wider adoption of Big Data techniques in these areas is impeded by a number of difficulties in both knowledge discovery and data and sci- ence production. Typically users face such problems as dis- parate and scattered data, data management, spatial search- ing, insufficient computational capacity for data-driven anal- ysis and modelling, and the lack of tools to quickly visual- ize and summarize large data and analysis results. Here we propose an architecture for an Urban Information Sys- tem (UrbIS) that mitigates these problems by utilizing the Big Data as a Service (BDaaS) concept. With technolog- ical roots in High-performance Computing (HPC), BDaaS is based on the idea of outsourcing computations to dif- ferent computing paradigms, scalable to super-computers. UrbIS aims to incorporate federated metadata search, in- tegrated modeling and analysis, and geovisualization into a single seamless workflow. The system is under active devel- opment and is built around various emerging technologies that include hybrid and NoSQL databases, massively par- allel systems, GPGPU computing, and WebGL-based geo- graphic visualization. UrbIS is designed to facilitate using Big Data across multiple cities to better understand how ur- ban areas impact the environment and how climate change and other environmental change impact urban areas.

Sorokine, Alexandre↗

Porting a 3D seismic modeling code (SW4) to CORAL machines

Seismic waves fourth order (SW4) solves the seismic wave equations on Cartesian and curvilinear grids using large compute clusters with O (100,000) cores. In this article we discuss the porting of SW4 to run on the CORAL architecture using the RAJA performance portability abstraction layer. The performances of key kernels using RAJA and CUDA are compared to estimate the performance penalty of using the portability abstraction layer. Code changes required for efficiency on GPUs and minimizing time spent in Message Passing Interface (MPI) are discussed. This article describes a path for efficiently porting large code bases to GPU-based machines while avoiding the pitfalls of a new architecture in the early stages of its deployment. Current bottlenecks in the code are discussed along with possible architectural or software mitigations. SW4 runs 28× faster on one 4-GPU CORAL node than on a CTS-1 node (Dual Intel Xeon E5-2695 v4). SW4 is now in routine use on problems of unprecedented resolution (203 billion grid points) and scale on 1,200 nodes of Summit.

97 MATHEMATICS AND COMPUTING↗

A Study of Geodesic Distance Kernel on an Integrated GPU

Graphics processing units (GPUs) are commonly used for graphics and general-purpose (GPGPU) computation. Currently, NVIDIA’s GPUs, through its CUDA framework for GPGPU programming, are ubiquitous for highperformance computing. Another class of GPUs, with a central processing unit (CPU) and a GPU integrated on the same chip, is commonly used in laptops, desktop computers, and low-power servers. While they are not designed to outperform discrete GPUs due to the power, area, and thermal constrains [1], there is a need to better understand the performance of a processor with an integrated GPU for floating-point intensive applications. The study helps us better understand the characteristics of hardware and software development tools, and the benefit of offloading such applications to an integrated GPU.

97 MATHEMATICS AND COMPUTING↗

Application of ERTS-1 data to the protection and management of New Jersey's coastal environment

The author has identified the following significant results. Rates of erosion and accretion of the shoreline are being calculated for two test areas along the New Jersey coast. Measurements are made on aerial photographs taken over the last 20 years and processed by computer. The rates are presented in graphic form on an ERTS-1 base map at a scale of 1:125,000. These rates are being used to determine the effectiveness of various shore protection structures at preventing sand removal and encouraging sand accumulation. Information on maintenance and construction expenditures is being used to obtain a cost effectiveness ratio for various shore protection devices. The relationship of erosion rates, property value, and project cost are all criteria for selection of site type and extent of a shore protection structure. Compilation and evaluation of historical data will identify past decision making patterns. The effectiveness of these decisions with respect to erosion rates, property value, and project cost, can be used as an added criteria for future allocation of money and the selection of site and type of structure to be built.

Yunghans, R. S.↗

An algorithm for automatic reduction of complex signal flow graphs

A computer algorithm is developed that provides efficient means to compute transmittances directly from a signal flow graph or a block diagram. Signal flow graphs are cast as directed graphs described by adjacency matrices. Nonsearch computation, designed for compilers without symbolic capability, is used to identify all arcs that are members of simple cycles for use with Mason's gain formula. The routine does not require the visual acumen of an interpreter to reduce the topology of the graph, and it is particularly useful for analyzing control systems described for computer analyses by means of interactive graphics.

Young, K. R.↗

SEP ENCKE-87 and Halley rendezvous studies and improved S/C model implementation in HILTOP

Studies were conducted to determine the performance requirements for projected state-of-the-art SEP spacecrafts boosted by the Shuttle/IUS to perform a rendezvous with the comet Halley and a rendezvous with the comet Encke during its 1977 apparition. The spacecraft model of the standard HILTOP computer program was assumed. Numerical and graphical results summarizing the studies are presented.

Horsewood, J. L.↗

XSECT: A computer code for generating fuselage cross sections - user's manual

A computer code, XSECT, has been developed to generate fuselage cross sections from a given area distribution and wing definition. The cross sections are generated to match the wing definition while conforming to the area requirement. An iterative procedure is used to generate each cross section. Fuselage area balancing may be included in this procedure if desired. The code is intended as an aid for engineers who must first design a wing under certain aerodynamic constraints and then design a fuselage for the wing such that the contraints remain satisfied. This report contains the information necessary for accessing and executing the code, which is written in FORTRAN to execute on the Cyber 170 series computers (NOS operating system) and produces graphical output for a Tektronix 4014 CRT. The LRC graphics software is used in combination with the interface between this software and the PLOT 10 software.

Ames, K. R.↗

The propagation of plane waves in a thermally stratified atmosphere

The behavior of a plane wave reflecting from a finite impedance surface with a realistic atmospheric temperature profile is investigated. An approximate solution has been implemented on a digital computer and this solution is presented graphically for a number of cases at low incidence angles.

Van Moorhem, W. K.↗