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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Design and Performance of Kokkos Staging Space toward Scalable Resilient Application Couplings

With the growing number of applications designed for heterogeneous HPC devices, application programmers and users are finding it challenging to compose scalable workflows as ensembles of these applications, that are portable, performant and resilient. The Kokkos C++ library has been designed to simplify this cumbersome procedure by providing an intra-application uniform programming model and portable performance. However, assembling multiple Kokkos-enabled applications into a complex workflow is still a challenge. Although Kokkos enables a uniform programming model, the inter-application data exchange still remains a challenge from both performance and software development cost perspectives. In order to address this issue, we propose Kokkos data staging memory space, an extension of Kokkos' data abstraction (memory space) for heterogeneous computing systems. This new abstraction allows to express data on a virtual shared-space for multiple Kokkos applications, thus extending Kokkos to support inter-application data exchange to build an efficient application workflow. Additionally, we study the effectiveness of asynchronous data layout conversions for applications requiring different memory access patterns for the shared data. Our preliminary evaluation with a synthetic benchmark indicate the effectiveness of this conversion adapted to three different scenarios representing access frequency and use patterns of the shared data.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

User's manual for the REEDM (Rocket Exhaust Effluent Diffusion Model) computer program

The REEDM computer program predicts concentrations, dosages, and depositions downwind from normal and abnormal launches of rocket vehicles at NASA's Kennedy Space Center. The atmospheric dispersion models, cloud-rise models, and other formulas used in the REEDM model are described mathematically Vehicle and source parameters, other pertinent physical properties of the rocket exhaust cloud, and meteorological layering techniques are presented as well as user's instructions for REEDM. Worked example problems are included.

Bjorklund, J. R.↗
NASA NTRS1986

Alternative mathematical programming formulations for FSS synthesis

A variety of mathematical programming models and two solution strategies are suggested for the problem of allocating orbital positions to (synthesizing) satellites in the Fixed Satellite Service. Mixed integer programming and almost linear programming formulations are presented in detail for each of two objectives: (1) positioning satellites as closely as possible to specified desired locations, and (2) minimizing the total length of the geostationary arc allocated to the satellites whose positions are to be determined. Computational results for mixed integer and almost linear programming models, with the objective of positioning satellites as closely as possible to their desired locations, are reported for three six-administration test problems and a thirteen-administration test problem.

Reilly, C. H.↗
NASA NTRS1992

Preliminary efforts toward development of data handling and analysis software for unsteady flow measurements: An application for aeroelastic transonic flow configurations

A few years ago the Structural Dynamics Division at LaRC started ambitious experimental research efforts known as the Benchmark Models Program. The primary objective of this program was to provide experimental data that may serve as a calibration source for computational fluid dynamics (CFD) efforts that deal with aeroelastic unsteady flow configurations. It also focuses on the understanding of complex flow phenomenon associated with unsteady flow developments. The overall plan for the program has been described by Bennett, including a presentation of initial test results of flutter of a rigid wing mounted on flexible supports. An example of a test model employed to measure the dynamic response along with corresponding pressure distributions is shown. This model incorporates eighty pressure transducers distributed along two spanwise stations. In addition, the models are equipped with four accelerometers and two strain gages. The data handling system for the Benchmark Model Program is under development. Several interactive computer routines designed for the user interface, dynamic memory allocation, unsteady flow measurements data extraction, and further data processing were developed. To present a few examples of measured data, the unsteady pressure distributions and the wing model dynamic response were plotted.

Finaish, Fathi↗
DOE OSTI2017

Decaf: Decoupled Dataflows for In Situ High-Performance Workflows

Decaf is a dataflow system for the parallel communication of coupled tasks in an HPC workflow. The dataflow can perform arbitrary data transformations ranging from simply forwarding data to complex data redistribution. Decaf does this by allowing the user to allocate resources and execute custom code in the dataflow. All communication through the dataflow is efficient parallel message passing over MPI. The runtime for calling tasks is entirely message-driven; Decaf executes a task when all messages for the task have been received. Such a messagedriven runtime allows cyclic task dependencies in the workflow graph, for example, to enact computational steering based on the result of downstream tasks. Decaf includes a simple Python API for describing the workflow graph. This allows Decaf to stand alone as a complete workflow system, but Decaf can also be used as the dataflow layer by one or more other workflow systems to form a heterogeneous task-based computing environment. In one experiment, we couple a molecular dynamics code with a visualization tool using the FlowVR and Damaris workflow systems and Decaf for the dataflow. In another experiment, we test the coupling of a cosmology code with Voronoi tessellation and density estimation codes using MPI for the simulation, the DIY programming model for the two analysis codes, and Decaf for the dataflow. Such workflows consisting of heterogeneous software infrastructures exist because components are developed separately with different programming models and runtimes, and this is the first time that such heterogeneous coupling of diverse components was demonstrated in situ on HPC systems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1986

A modeling analysis program for the JPL Table Mountain Io sodium cloud data

Progress and achievements in the second year are discussed in three main areas: (1) data quality review of the 1981 Region B/C images; (2) data processing activities; and (3) modeling activities. The data quality review revealed that almost all 1981 Region B/C images are of sufficient quality to be valuable in the analyses of the JPL data set. In the second area, the major milestone reached was the successful development and application of complex image-processing software required to render the original image data suitable for modeling analysis studies. In the third area, the lifetime description of sodium atoms in the planet magnetosphere was improved in the model to include the offset dipole nature of the magnetic field as well as an east-west electric field. These improvements are important in properly representing the basic morphology as well as the east-west asymmetries of the sodium cloud.

Smyth, W. H.↗
DOE OSTI2025

Extending SEER for Extreme Heterogeneity

Heterogeneous and multi-device nodes are increasingly common in high-performance computing and data centers, yet existing programming models often lack simple, transparent, and portable support for these diverse architectures. The main contribution of this work is the development of novel SEER capabilities to address this challenge by providing a descriptive programming model that allows applications to seamlessly leverage heterogeneous nodes across various device types. SEER uses efficient memory management and can select the proper device[s] depending on the computational cost of the applications. This is completely transparent to the programmer, thereby providing a highly productive programming environment. Integrating extreme heterogeneity into the SEER library as shown with the use of NVIDIA and AMD GPUs simultaneously allows it to expand and exploit the performance possibilities. Our analysis based on the well-known Conjugate Gradient algorithm reports accelerations above 1.5 × on computationally demanding steps of such an algorithm by using both architectures simultaneously.

Teranishi, Keita [ORNL] (ORCID:0000000166472690)↗
DOE OSTI2017

Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning

Quantum-based molecular dynamics (QMD) is a highly accurate and transferable method for material science simulations. However, the time scales and system sizes accessible to QMD are typically limited to picoseconds and a few hundred atoms. These constraints arise due to expensive self-consistent ground-state electronic structure calculations that can often scale cubically with the number of atoms. Linearly scaling methods depend on computing the density matrix P from the Hamiltonian matrix H by exploiting the sparsity in both matrices. The second-order spectral projection (SP2) algorithm is an O(N) algorithm that computes P with a sequence of 40 - 50 matrix-matrix multiplications. In this paper, we present task-based implementations of a recently developed data-parallel graph-based approach to the SP2 algorithm, G-SP2. We represent the density matrix P as an undirected graph and use graph partitioning techniques to divide the computation into smaller independent tasks. The partitions thus obtained are generally not of equal size and give rise to undesirable load imbalances in standard MPI-based implementations. This load-balancing challenge can be mitigated by dynamically scheduling parallel computations at runtime using task-based programming models. We develop task-based implementations of the data-parallel G-SP2 algorithm using both Intel's Concurrent Collections (CnC) as well as the Charm++ programming model and evaluate these implementations for future use. Scaling and performance results of our implementations are investigated for representative segments of QMD simulations for solvated protein systems containing more than 10,000 atoms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Parallel Programming in MCNP6

Monte Carlo N-Particle (MCNP)1 is a general-purpose Monte Carlo particle transport code developed by Los Alamos National Laboratory (LANL). To efficiently handle long simulations, MCNP version 6 (MCNP6) supports parallel execution using two primary programming models: • Shared-memory task-based threading using OpenMP (Open Multi-Processing), and • Distributed-memory calculations using MPI (Message Passing Interface). The OpenMP and MPI programming models enable MCNP6 to scale from desktop systems to high-performance computing (HPC) clusters, allowing users to run MCNP in one of three parallel modes: • OpenMP-only, • MPI-only, and • Hybrid (MPI + OpenMP). The choice of parallelization mode depends on the underlying computer architecture and the characteristics of the simulation problem.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

More-Realistic Digital Modeling of a Human Body

A MATLAB computer program has been written to enable improved (relative to an older program) modeling of a human body for purposes of designing space suits and other hardware with which an astronaut must interact. The older program implements a kinematic model based on traditional anthropometric measurements that do provide important volume and surface information. The present program generates a three-dimensional (3D) whole-body model from 3D body-scan data. The program utilizes thin-plate spline theory to reposition the model without need for additional scans.

Rogge, Renee↗
DOE OSTI2019

CRADA Final Report: CRADA Number NFE-14-05227 with Total E&P Research and Technology USA LLC

Cooperative Research and Development Agreement (CRADA) NFE-14-05227 between Oak Ridge National Laboratory (ORNL) and Total E&P Research and Development USA LLC (Total) focused on exploration of programming models and optimization opportunities for two families of seismic imaging algorithms frequently used within the oil and gas sector. Studies involved the use of OpenACC and OpenMP directive-based programming models for GPU accelerators on Reverse Time Migration (RTM), and Time Reverse Time Migration (tRTM) model applications. The work provided insights into both the directive language capabilities and gaps with respect to the needs of these algorithms and how the algorithms can be ported to GPU accelerators using directive languages.

58 GEOSCIENCES↗
NASA NTRS1995

A portable MPI-based parallel vector template library

This paper discusses the design and implementation of a polymorphic collection library for distributed address-space parallel computers. The library provides a data-parallel programming model for C++ by providing three main components: a single generic collection class, generic algorithms over collections, and generic algebraic combining functions. Collection elements are the fourth component of a program written using the library and may be either of the built-in types of C or of user-defined types. Many ideas are borrowed from the Standard Template Library (STL) of C++, although a restricted programming model is proposed because of the distributed address-space memory model assumed. Whereas the STL provides standard collections and implementations of algorithms for uniprocessors, this paper advocates standardizing interfaces that may be customized for different parallel computers. Just as the STL attempts to increase programmer productivity through code reuse, a similar standard for parallel computers could provide programmers with a standard set of algorithms portable across many different architectures. The efficacy of this approach is verified by examining performance data collected from an initial implementation of the library running on an IBM SP-2 and an Intel Paragon.

Sheffler, Thomas J.↗
NASA NTRS1995

A Portable MPI-Based Parallel Vector Template Library

This paper discusses the design and implementation of a polymorphic collection library for distributed address-space parallel computers. The library provides a data-parallel programming model for C + + by providing three main components: a single generic collection class, generic algorithms over collections, and generic algebraic combining functions. Collection elements are the fourth component of a program written using the library and may be either of the built-in types of c or of user-defined types. Many ideas are borrowed from the Standard Template Library (STL) of C++, although a restricted programming model is proposed because of the distributed address-space memory model assumed. Whereas the STL provides standard collections and implementations of algorithms for uniprocessors, this paper advocates standardizing interfaces that may be customized for different parallel computers. Just as the STL attempts to increase programmer productivity through code reuse, a similar standard for parallel computers could provide programmers with a standard set of algorithms portable across many different architectures. The efficacy of this approach is verified by examining performance data collected from an initial implementation of the library running on an IBM SP-2 and an Intel Paragon.

Sheffler, Thomas J.↗
DOE OSTI2022

From PeleC to PeleACC, to PeleC++

PeleC is an Exascale Computing Project application for simulating compressible combustion in complex geometries. It has been built on top of the popular AMReX library. In the beginning of the Exascale Computing Project, PeleC was focused on KNL. It uses a mixture of C++, C, and kernels written in Fortran to obtain performance by focusing on vectorization. Recently we have taken two approaches in deciding PeleC's future for obtaining performance on exascale GPU machines. In the first programming model, we decorated the Fortran kernels with OpenACC directives. This expedited our ability to run at large scales on Summit's GPUs, where we achieved a significant speedup over the CPUs on Summit. The second programming model involved rewriting the Fortran kernels in C++ and using AMReX's Kokkos-like lambda abstractions for running on the GPU. This resulted in similar speedups on Summit's GPUs over merely utilizing the CPUs. Both approaches involved AMReX's management of memory transfers between the device and host. In this work, we compare and contrast the benefits and pitfalls to both programming approaches regarding performance, performance portability, and productivity. We also discuss advantages we have found in taking the time to modernize our code and why have chosen a specific pathway to prepare our code for the future DOE exascale machines.

exascale computing↗
DOE OSTI2022

TDCOSMO. IX. Systematic comparison between lens modelling software programs: time delay prediction for WGD 2038-4008

The importance of alternative methods for measuring the Hubble constant, such as time-delay cosmography, is highlighted by the recent Hubble tension. It is paramount to thoroughly investigate and rule out systematic biases in all measurement methods before we can accept new physics as the source of this tension. In this study, we perform a check for systematic biases in the lens modelling procedure of time-delay cosmography by comparing independent and blind time-delay predictions of the system WGD 2038-4008 from two teams using two different software programs: GLEE and LENSTRONOMY. The predicted time delays from the two teams incorporate the stellar kinematics of the deflector and the external convergence from line-of-sight structures. The un-blinded time-delay predictions from the two teams agree within 1.2σ, implying that once the time delay is measured the inferred Hubble constant will also be mutually consistent. However, there is a ~4σ discrepancy between the power-law model slope and external shear, which is a significant discrepancy at the level of lens models before the stellar kinematics and the external convergence are incorporated. We identify the difference in the reconstructed point spread function (PSF) to be the source of this discrepancy. When the same reconstructed PSF was used by both teams, we achieved excellent agreement, within ~0.6σ<, indicating that potential systematics stemming from source reconstruction algorithms and investigator choices are well under control. We recommend that future studies supersample the PSF as needed and marginalize over multiple algorithms or realizations for the PSF reconstruction to mitigate the systematics associated with the PSF. A future study will measure the time delays of the system WGD 2038-4008 and infer the Hubble constant based on our mass models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking programs. Both cloud and high-performance computing (HPC) resources have been used for large screens with molecular docking programs; while NVIDIA GPUs have dominated cloud and HPC resources, new vendors such as AMD and Intel are now entering the field, creating the problem of software portability across different GPUs. Ideally, software productivity could be maximized with portable programming models that are able to maintain high performance across architectures. While in many cases compiler directives have been used as an easy way to offload parallel regions of a CPU-based program to a GPU accelerator, they may also be an attractive programming model for providing portability across different GPU vendors, in which case the porting process may proceed in the reverse direction: from low-level, architecture-specific code to higher-level directive-based abstractions. MiniMDock is a new mini-application (miniapp) designed to capture the essential computational kernels found in molecular docking calculations, such as are used in phar-maceutical drug discovery efforts, in order to test different solutions for porting across GPU architectures. Here we extend MiniMDock to GPU offloading with OpenMP directives, and compare to performance of kernels using CUDA and HIP on NVIDIA and AMD GPUs, respectively, as well as across different compilers, exploring performance bottlenecks. We document this reverse-porting process, from highly optimized device code to a higher-level version using directives, compare code structure, and describe barriers that were overcome in this effort.

Thavappiragasam, Mathialakan↗
DOE OSTI2019

Comparison of different simulation programs in modeling the energy savings of cool roofs

The Roof Savings Calculator is a web-based application first developed in 2010 that uses detailed building energy simulations to calculate the energy savings of cool roofs for different building types in over 200 U.S. locations. Although modeling the heat flows of a roof may be straightforward at first glance, modeling the energy savings due to changes in the roof albedo is complicated because it involves modeling the interzone heat transfer between the attic and the conditioned space below. Since direct measurement of energy savings is also problematic, the authors have decided to compare what several independent detailed simulation programs show for the energy savings from cool roof strategies.

Huang, Yu (Joe)↗
NASA NTRS1988

Vectoring Single Expansion Ramp Nozzle (VSERN) static model test program

A variable throat-area, side-vectoring single expansion ramp nozzle (VSERN) concept's internal performance characteristics are studied with a view to controlling the bypass flow of an unmixed turbofan engine. Static tests have been conducted on VSERN at NASA-Langley using a variety of parametric models giving attention to the effects of upstream bend angle, ramp geometry, area ratio, and nozzle pressure ratio on static thrust and flow performance. Advantages of VSERN over the conventional vectoring axisymmetric convergent side-nozzles typified by those of the Harrier's Pegasus engine.

Eames, D. J. H.↗