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At least 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Mind the Gap: Building Simulation in the Architectural Design Studio

Building modelling and simulation approaches are increasingly being utilized in architectural design studios to guide and inform the design process and offer evidence-based feedback on proposed building performance. The development of intuitive and simplified simulation interfaces has greatly contributed to achieving this integration. One aspect that is often overlooked is the workflow that governs and regulates integrated design, which can have significant impacts on final design outcomes. Currently there are numerous software packages available for building performance simulations. This makes it challenging to select an appropriate tool that provides accurate results yet allows a designer to make informed architectural decisions with a designer-friendly interface. Furthermore, workflows to incorporate simulations into the design process proved to highly impact student’s project design integration. Yet, it is not clear what type of workflows are successful to achieve this goal, under what conditions, and/or for which building and site typologies. This paper addresses these issues by first reviewing three different workflows for integrating building performance simulation processes and highlighting their strengths and weaknesses. Second, a comparative case study approach was employed to test three of the most common workflows in three different integrated design architectural studios at the senior and vertical studio levels as well as in two courses that run parallel and complementary to the design studios. The workflows, processes, and the resultant student projects were further analyzed based on criteria for better integrated design and architectural excellence as outlined in the American Institute of Architects Committee on the Environment (AIA COTE) Top 10 Student’s Competition. Third, to situate the pedagogical case studies’ results within a larger context, a survey of the AIA COTE Top 10 student competition award recipients over the last five years was conducted. The results are summarized in a pedagogical framework that outlines best strategies of the type of workflows, software, design process used, methods to achieve desired interaction between design process and analytical feedback, and metrics for educators to evaluate the success of this integration and their learning outcomes in the design studio. The goal is to help bridge the gap between the building design and simulation within the design studio’s creative process for more integrated design outcomes.

Elzeyadi, Ihab↗
DOE OSTI2023

PETSc/TAO Users Manual (Rev. 3.19)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) and the Toolkit for Advanced Optimization (TAO) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc/TAO is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication. PETSc/TAO includes a large suite of parallel linear solvers, nonlinear solvers, time integrators, and opti mization that may be used in application codes written in Fortran, C, C++, and Python (via petsc4py; see Getting Started). PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than packages such as MATLAB or a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or lldb, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than “rolling them” yourself. For many tasks a package such as MATLAB is often the best tool; PETSc is not intended for the classes of problems for which effective MATLAB code can be written. There are several packages, built on PETSc, that may satisfy your needs without requiring directly using PETSc. We recommend reviewing these packages functionality before starting to code directly with PETSc. PETSc can be used to provide a “MPI parallel linear solver” in an otherwise sequential, or OpenMP parallel code. This approach cannot provide extremely large improvements in the application time by utilizing large numbers of MPI processes but can still improve the performance. Certainly all parts of a previously sequential code need not be parallelized but the matrix generation portion must be parallelized to expect true scalability to large numbers of MPI processes. See PCMPI for details on how to utilize the PETSc MPI linear solver server. Since PETSc is under continued development, small changes in usage and calling sequences of routines will occur. PETSc has been supported for twenty-five years; see mailing list information on our website for information on contacting support.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1996

Progress in Voltage and Current Mode On-Chip Analog-to-Digital converters for CMOS Image Sensors

Two 8 bit successive approximation analog-to-digital converter (ADC) designs and a 12 bit current mode incremental sigma delta ADC have been designed, fabricated, and tested. The successive approximation test chip designs are compatible with active pixel sensor (APS) column parallel architectures with a 20.4 ??itch in a 1.2 ??-well CMOS process and a 40 ??itch in a 2 ??-well CMOS process. The successive approximation designs consume as little as 49 ??t a 500 KHz conversion rate meeting the low power requirements inherent in column parallel architectures. The current mode incremental sigma-delta ADC test chips designed to be multiplied among 8 columns in a semi-column parallel current mode APS architecture. The higher accuracy ADC consumes 800 ??t a 5 KHz.

analog-to-digital↗
DOE OSTI2020

Columnar-to-equiaxed transition in a laser scan for metal additive manufacturing

In laser powder bed fusion additive manufacturing (LPBFAM), different solidification conditions, e.g., thermal gradient and cooling rate, can be achieved by controlling the process parameters, such as laser power and laser speed. Tailoring the behaviour of the columnar to equiaxed transition (CET) of the printed alloy during fabrication can facilitate the production of highly customized microstructures. In this study, effective analytical solutions for both thermal conduction and solidification are employed to model solidifying melt pools. Microstructure textures and solidification conditions are evaluated for numerous combinations of laser power and laser speed under bead-on-plate conditions. This analytical-based high-throughput tool was demonstrated to select specific process parameters that lead to desired microstructures. Two selected process conditions were examined in detail by a highly parallelized microstructural solidification model to reveal both nucleation and grain growth. Both numerical solutions agree well with experiments that are performed based on bead-on-plate conditions, indicating that these numerical models aid evaluation of the nucleation parameters, providing insights for controlling CET during the LPBFAM processing.

Lang, Yuan↗
NASA NTRS1996

Aerodynamic Shape Optimization of Supersonic Aircraft Configurations via an Adjoint Formulation on Parallel Computers

This work describes the application of a control theory-based aerodynamic shape optimization method to the problem of supersonic aircraft design. The design process is greatly accelerated through the use of both control theory and a parallel implementation on distributed memory computers. Control theory is employed to derive the adjoint differential equations whose solution allows for the evaluation of design gradient information at a fraction of the computational cost required by previous design methods. The resulting problem is then implemented on parallel distributed memory architectures using a domain decomposition approach, an optimized communication schedule, and the MPI (Message Passing Interface) Standard for portability and efficiency. The final result achieves very rapid aerodynamic design based on higher order computational fluid dynamics methods (CFD). In our earlier studies, the serial implementation of this design method was shown to be effective for the optimization of airfoils, wings, wing-bodies, and complex aircraft configurations using both the potential equation and the Euler equations. In our most recent paper, the Euler method was extended to treat complete aircraft configurations via a new multiblock implementation. Furthermore, during the same conference, we also presented preliminary results demonstrating that this basic methodology could be ported to distributed memory parallel computing architectures. In this paper, our concern will be to demonstrate that the combined power of these new technologies can be used routinely in an industrial design environment by applying it to the case study of the design of typical supersonic transport configurations. A particular difficulty of this test case is posed by the propulsion/airframe integration.

Reuther, James↗
NASA NTRS1996

Aerodynamic Shape Optimization of Supersonic Aircraft Configurations via an Adjoint Formulation on Parallel Computers

This work describes the application of a control theory-based aerodynamic shape optimization method to the problem of supersonic aircraft design. The design process is greatly accelerated through the use of both control theory and a parallel implementation on distributed memory computers. Control theory is employed to derive the adjoint differential equations whose solution allows for the evaluation of design gradient information at a fraction of the computational cost required by previous design methods (13, 12, 44, 38). The resulting problem is then implemented on parallel distributed memory architectures using a domain decomposition approach, an optimized communication schedule, and the MPI (Message Passing Interface) Standard for portability and efficiency. The final result achieves very rapid aerodynamic design based on higher order computational fluid dynamics methods (CFD). In our earlier studies, the serial implementation of this design method (19, 20, 21, 23, 39, 25, 40, 41, 42, 43, 9) was shown to be effective for the optimization of airfoils, wings, wing-bodies, and complex aircraft configurations using both the potential equation and the Euler equations (39, 25). In our most recent paper, the Euler method was extended to treat complete aircraft configurations via a new multiblock implementation. Furthermore, during the same conference, we also presented preliminary results demonstrating that the basic methodology could be ported to distributed memory parallel computing architectures [241. In this paper, our concem will be to demonstrate that the combined power of these new technologies can be used routinely in an industrial design environment by applying it to the case study of the design of typical supersonic transport configurations. A particular difficulty of this test case is posed by the propulsion/airframe integration.

Reuther, James↗
NASA NTRS1985

Putting the 'super' in supercomputers

Computers used for numerical simulations of physical phenomena, e.g., flowfields, meteorology, structural analysis, etc., replace physical experiments that are too expensive or impossible to perform. The problems considered continually become increasingly more complex and thus demand faster processing times to do all necessary computations. The effects components technologies have on computer speed are leveling off, leaving new architectures and programming as the only currently viable means to upgrade speed. Parallel computations, either in the form of array processors, assembly line processing or multiprocessors are being explored using existing microprocessor technologies. Slower hardware configurations can also be made equivalent to faster supercomputers by economic programming. The availability of rudimentary parallel architecture supercomputers for general industrial use is increasing. Scientific applications continue to drive the development of more sophisticated parallel machines.

Schulbach, C.↗
NASA NTRS1991

A biconjugate gradient type algorithm on massively parallel architectures

The biconjugate gradient (BCG) method is the natural generalization of the classical conjugate gradient algorithm for Hermitian positive definite matrices to general non-Hermitian linear systems. Unfortunately, the original BCG algorithm is susceptible to possible breakdowns and numerical instabilities. Recently, Freund and Nachtigal have proposed a novel BCG type approach, the quasi-minimal residual method (QMR), which overcomes the problems of BCG. Here, an implementation is presented of QMR based on an s-step version of the nonsymmetric look-ahead Lanczos algorithm. The main feature of the s-step Lanczos algorithm is that, in general, all inner products, except for one, can be computed in parallel at the end of each block; this is unlike the other standard Lanczos process where inner products are generated sequentially. The resulting implementation of QMR is particularly attractive on massively parallel SIMD architectures, such as the Connection Machine.

Freund, Roland W.↗
NASA NTRS1995

Multiobjective optimization of hybrid regenerative life support technologies. Topic D: Technology Assessment

We developed simple mathematical models for many of the technologies constituting the water reclamation system in a space station. These models were employed for subsystem optimization and for the evaluation of the performance of individual water reclamation technologies, by quantifying their operational 'cost' as a linear function of weight, volume, and power consumption. Then we performed preliminary investigations on the performance improvements attainable by simple hybrid systems involving parallel combinations of technologies. We are developing a software tool for synthesizing a hybrid water recovery system (WRS) for long term space missions. As conceptual framework, we are employing the state space approach. Given a number of available technologies and the mission specifications, the state space approach would help design flowsheets featuring optimal process configurations, including those that feature stream connections in parallel, series, or recycles. We visualize this software tool to function as follows: given the mission duration, the crew size, water quality specifications, and the cost coefficients, the software will synthesize a water recovery system for the space station. It should require minimal user intervention. The following tasks need to be solved for achieving this goal: (1) formulate a problem statement that will be used to evaluate the advantages of a hybrid WRS over a single technology WBS; (2) model several WRS technologies that can be employed in the space station; (3) propose a recycling network design methodology (since the WRS synthesis task is a recycling network design problem, it is essential to employ a systematic method in synthesizing this network); (4) develop a software implementation for this design methodology, design a hybrid system using this software, and compare the resulting WRS with a base-case WRS; and (5) create a user-friendly interface for this software tool.

Manousiouthakis, Vasilios↗
NASA NTRS1987

Parallel Algorithm Solves Coupled Differential Equations

Numerical methods adapted to concurrent processing. Algorithm solves set of coupled partial differential equations by numerical integration. Adapted to run on hypercube computer, algorithm separates problem into smaller problems solved concurrently. Increase in computing speed with concurrent processing over that achievable with conventional sequential processing appreciable, especially for large problems.

Hayashi, A.↗
DOE OSTI2024

Predicting synthetic mRNA stability using massively parallel kinetic measurements, biophysical modeling, and machine learning

Abstract mRNA degradation is a central process that affects all gene expression levels, though it remains challenging to predict the stability of a mRNA from its sequence, due to the many coupled interactions that control degradation rate. Here, we carried out massively parallel kinetic decay measurements on over 50,000 bacterial mRNAs, using a learn-by-design approach to develop and validate a predictive sequence-to-function model of mRNA stability. mRNAs were designed to systematically vary translation rates, secondary structures, sequence compositions, G-quadruplexes, i-motifs, and RppH activity, resulting in mRNA half-lives from about 20 seconds to 20 minutes. We combined biophysical models and machine learning to develop steady-state and kinetic decay models of mRNA stability with high accuracy and generalizability, utilizing transcription rate models to identify mRNA isoforms and translation rate models to calculate ribosome protection. Overall, the developed model quantifies the key interactions that collectively control mRNA stability in bacterial operons and predicts how changing mRNA sequence alters mRNA stability, which is important when studying and engineering bacterial genetic systems.

Cetnar, Daniel P.↗
NASA NTRS1984

Initial experience with distributing structural calculations among computers operating in parallel

An existing program is currently being adapted to perform finite element analysis by distributing substructures over a network of four Apple IIe microcomputers connected to a shared disk. In this network, one microcomputer controls the entire process while the others perform the analysis on each substructure in parallel. This substructure analysis is used in an iterative, fully stressed, structural resizing procedure. This procedure allows experimentatation with resizing in which all analyses are not completed during a single iteration. This research gives some insight on how to configure multidiscriplinary analysis and optimization procedures for decomposable engineering systems using either high performance engineering workstations or a parallel processor supercomputer. In addition, the operational experience gained facilitates the implementation of analysis programs on these new computers when they become available in an engineering environment.

Rogers, J. L., Jr.↗
DOE OSTI2023

ETG turbulence in a tokamak pedestal

This paper explores the fundamental characteristics of electron-temperature-gradient (ETG)-driven turbulence in the tokamak pedestal. The extreme gradients in the pedestal produce linear instabilities and nonlinear turbulence that are distinct from the corresponding ETG phenomenology in the core plasma. The linear system exhibits multiple (greater than ten) unstable eigenmodes at each perpendicular wave vector, representing different toroidal and slab branches of the ETG instability. Proper orthogonal decomposition of the nonlinear fluctuations reveals no clear one-to-one correspondence between the linear and nonlinear modes for most wave vectors. Moreover, nonlinear frequencies deviate strongly from those of the linear instabilities, with spectra peaking at positive frequencies, which is opposite the sign of the ETG instability. The picture that emerges is one in which the linear properties are preserved only in a narrow range of k-space. Outside this range, nonlinear processes produce strong deviations from both the linear frequencies and eigenmode structures. This is interpreted in the context of critical balance, which enforces alignment between the parallel scales and fluctuation frequencies. We also investigate the nonlinear saturation processes. We observe a direct energy cascade from the injection scale to smaller scales in both perpendicular directions. However, in the bi-normal direction, there is also nonlocal inverse energy transfer to larger scales. Neither streamers nor zonal flows dominate the saturation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1999

I/O Parallelization for the Goddard Earth Observing System Data Assimilation System (GEOS DAS)

The National Aeronautics and Space Administration (NASA) Data Assimilation Office (DAO) at the Goddard Space Flight Center (GSFC) has developed the GEOS DAS, a data assimilation system that provides production support for NASA missions and will support NASA's Earth Observing System (EOS) in the coming years. The DAO's support of the EOS project along with the requirement of producing long-term reanalysis datasets with an unvarying system levy a large I/O burden on the future system. The DAO has been involved in prototyping parallel implementations of the GEOS DAS for a number of years and is now converting the production version from shared-memory parallelism to distributed-memory parallelism using the portable Message-Passing Interface (MPI). If the MPI-based GEOS DAS is to meet these production requirements, we must make I/O from the parallel system efficient. We have designed a scheme that allows efficient I/O processing while retaining portability, reducing the need for post-processing, and producing data formats that are required by our users, both internal and external. The first phase of the GEOS DAS Parallel I/O System (GPIOS) will expand upon the common method of gathering global data to a Single PE for output. Instead of using a PE also tasked with primary computation, a number of PEs will be dedicated to I/O and its related tasks. This allows the data transformations and formatting required prior to output to take place asynchronously with respect to the GEOS DAS assimilation cycle, improving performance and generating output data sets in a format convenient for our users. I/O PEs can be added as needed to handle larger data volumes or to meet user file specifications. We will show I/O performance results from a prototype MPI GCM integrated with GPIOS. Phase two of GPIOS development will examine ways of integrating new software technologies to further improve performance and build scalability into the system. The maturing of MPI-IO implementations and other supporting libraries such as parallel HDF should provide performance gains while retaining portability.

Lucchesi, R.↗
DOE OSTI2020

TeraChem: A graphical processing unit-accelerated electronic structure package for large-scale ab initio molecular dynamics

TeraChem was born in 2008 with the goal of providing fast on-the-fly electronic structure calculations to facilitate ab initio molecular dynamics studies of large biochemical systems such as photoswitchable proteins and multichromophoric antenna complexes. Originally developed for videogaming applications, graphics processing units (GPUs) offered a low-cost parallel computer architecture that became more accessible for general-purpose GPU computing with the release of CUDA in 2007. The evaluation of the electron repulsion integrals (ERIs) is a major bottleneck in electronic structure codes and provides an attractive target for acceleration on GPUs. Thus, highly efficient routines for evaluation of and contractions between the ERIs and density matrices were implemented in TeraChem. Here, electronic structure methods were developed and implemented to leverage these integral contraction routines, resulting in the first quantum chemistry package designed from the ground up for GPUs. This GPU acceleration makes TeraChem capable of performing large-scale ground and excited state calculations in the gas and condensed phase. Today, TeraChem's speed forms the basis for a suite of quantum chemistry applications, including optimization and dynamics of proteins, automated and interactive chemical discovery tools, and large-scale nonadiabatic dynamics simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1987

Performance limitations in parallel processor simulations

A jet-engine model is partitioned and simulated on a parallel processor system consisting of five 8086/8087 floating-point computers. The simulation uses Heun's integration method. A near-optimal parallel simulation (in the sense of minimum execution time) achieves speedup of only 2.13 and efficiency of 42.6 percent, in effect wasting 57.4 percent of the available processing power. A detailed analysis identifies and graphically demonstrates why the system fails to achieve ideal performance (viz., speedup of 5 and efficiency of 100 percent). Inherent characteristics of the problem equations and solution algorithm account for the loss of nearly half of the available processing power. Overheads associated with interprocessor communication and processor synchronization account for only a small fraction of the lost processing power. The effects of these and other factors which limit parallel processor performance are illustrated through real-time timing-analyzer tracers describing the run/idle status of the parallel processors during the simulation.

O'Grady, E. Pearse↗
DOE OSTI2023

Scalable Graph Analytics and HPC Operational Enhancement: Parallel Computing and ML/DL Innovations

Parallel computing plays a pivotal role in the efficient processing of large-scale graphs. Complex network analysis stands as a capti- vating research frontier, holding promise across diverse scientific domains such as sociology, biology, online media, and recommenda- tion systems. In this era, Machine Learning (ML) and Deep Learning (DL) have emerged as indispensable tools, underpinning remarkable technological achievements. Within this dynamic landscape, my research revolves around advancing parallel algorithms tailored for large-scale graph operations. To achieve this, I harness the power of cutting-edge technologies including OpenMP, MPI, HIP, and CUDA, on the High-Performance Computing (HPC) platforms to unlock optimal performance. I also apply ML/DL techniques to HPC operational data, to streamline the monitoring and maintenance of supercomputers, alleviating the complexities associated with their upkeep and enhancing user support. My research echoes the syn- ergy between parallel computing, large-scale graph analysis, and ML/DL, improving computational efficiency and user experience.

Sattar, Naw Safrin↗
NASA NTRS1982

Physical mechanisms for turbulent dissipation in collisionless shock waves

Dissipation processes in collisionless shock waves are discussed in terms of simple physical models. Two cases are considered: one is concerned with quasi-parallel shocks and the other deals with quasi-perpendicular shocks. In the former case it is explained why the magnetic field profile of a parallel shock usually appears turbulent. The dominant instability responsible for collisionless dissipation processes is discussed. The situation is quite different in a quasi-perpendicular shock in which cross-field currents are believed to be responsible for the collisionless dissipation. Important instabilities are reviewed and discussed. A brief comparison of the theory with recent observations will also be given.

Wu, C. S.↗