WAVES: Build Systems for Computational Science and Engineering
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WAVES, build system, parameter study, simulation, ↗
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The formulation of simulation models of aeronautical systems
Recent developments in formula-manipulation compilers have led to a significant reduction in the time spent in formulating models of complex multi-degrees-of-freedom dynamical systems. MACSYMA, a computer system that can be used to perform symbolic manipulations in an interactive mode, is applied to the problem of formulating models of aeronautical systems for simulation studies. An example demonstrates that once the procedure is established, the formulation and modification of the models can be reduced to a series of routine computer operations.
Howard, J. C.↗
Radiative Heat Transfer Calculation on 16384 GPUs Using a Reverse Monte Carlo Ray Tracing Approach with Adaptive Mesh Refinement
Modeling thermal radiation is computationally challenging in parallel due to its all-to-all physical and resulting computational connectivity, and is also the dominant mode of heat transfer in practical applications such as next-generation clean coal boilers, being modeled by the Uintah framework. However, a direct all-to-all treatment of radiation is prohibitively expensive on large computers systems whether homogeneous or heterogeneous. DOE Titan and the planned DOE Summit and Sierra machines are examples of current and emerging GPU-based heterogeneous systems where the increased processing capability of GPUs over CPUs exacerbates this problem. These systems require that computational frameworks like Uintah leverage an arbitrary number of on-node GPUs, while simultaneously utilizing thousands of GPUs within a single simulation. We show that radiative heat transfer problems can be made to scale within Uintah on heterogeneous systems through a combination of reverse Monte Carlo ray tracing (RMCRT) techniques combined with AMR, to reduce the amount of global communication. In particular, significant Uintah infrastructure changes, including a novel lock and contention-free, thread-scalable data structure for managing MPI communication requests and improved memory allocation strategies were necessary to achieve excellent strong scaling results to 16384 GPUs on Titan.
Computer Science↗
Annual ADP planning document
The Category A computer systems at KSC (Al and A2) which perform scientific and business/administrative operations are described. This data division is responsible for scientific requirements supporting Saturn, Atlas/Centaur, Titan/Centaur, Titan III, and Delta vehicles, and includes realtime functions, Apollo-Soyuz Test Project (ASTP), and the Space Shuttle. The work is performed chiefly on the GEL-635 (Al) system located in the Central Instrumentation Facility (CIF). The Al system can perform computations and process data in three modes: (1) real-time critical mode; (2) real-time batch mode; and (3) batch mode. The Division's IBM-360/50 (A2) system, also at the CIF, performs business/administrative data processing such as personnel, procurement, reliability, financial management and payroll, real-time inventory management, GSE accounting, preventive maintenance, and integrated launch vehicle modification status.
Mogilevsky, M.↗
Transient multivariable sensor evaluation
A method and system for performing transient multivariable sensor evaluation. The method and system includes a computer system for identifying a model form, providing training measurement data, generating a basis vector, monitoring system data from sensor, loading the system data in a non-transient memory, performing an estimation to provide desired data and comparing the system data to the desired data and outputting an alarm for a defective sensor.
47 OTHER INSTRUMENTATION↗
Recurrent Neural Network Attention Mechanisms for Interpretable System Log Anomaly Detection
Deep learning has recently demonstrated state-of-the art performance on key tasks related to the maintenance of computer systems, such as intrusion detection, denial of service attack detection, hardware and software system failures, and malware detection. In these contexts, model interpretability is vital for administrator and analyst to trust and act on the automated analysis of machine learning models. Deep learning methods have been criticized as black box oracles which allow limited insight into decision factors. In this work we seek to "bridge the gap'' between the impressive performance of deep learning models and the need for interpretable model introspection. To this end we present recurrent neural network (RNN) language models augmented with attention for anomaly detection in system logs. Our methods are generally applicable to any computer system and logging source. By incorporating attention variants into our RNN language models we create opportunities for model introspection and analysis without sacrificing state-of-the art performance. We demonstrate model performance and illustrate model interpretability on an intrusion detection task using the Los Alamos National Laboratory (LANL) cyber security dataset, reporting upward of 0.99 area under the receiver operator characteristic curve despite being trained only on a single day's worth of data.
Anomaly detection, Attention, Recurrent Neural Net↗
Space station operating system study
The current phase of the Space Station Operating System study is based on the analysis, evaluation, and comparison of the operating systems implemented on the computer systems and workstations in the software development laboratory. Primary emphasis has been placed on the DEC MicroVMS operating system as implemented on the MicroVax II computer, with comparative analysis of the SUN UNIX system on the SUN 3/260 workstation computer, and to a limited extent, the IBM PC/AT microcomputer running PC-DOS. Some benchmark development and testing was also done for the Motorola MC68010 (VM03 system) before the system was taken from the laboratory. These systems were studied with the objective of determining their capability to support Space Station software development requirements, specifically for multi-tasking and real-time applications. The methodology utilized consisted of development, execution, and analysis of benchmark programs and test software, and the experimentation and analysis of specific features of the system or compilers in the study.
Horn, Albert E.↗
Data storage technology: Hardware and software, Appendix B
This project involves the development of more economical ways of integrating and interfacing new storage devices and data processing programs into a computer system. It involves developing interface standards and a software/hardware architecture which will make it possible to develop machine independent devices and programs. These will interface with the machine dependent operating systems of particular computers. The development project will not be to develop the software which would ordinarily be the responsibility of the manufacturer to supply, but to develop the standards with which that software is expected to confirm in providing an interface with the user or storage system.
Sable, J. D.↗
An empirical evaluation of graphical interfaces to support flight planning
Whether optimization techniques or expert systems technologies are used, the underlying inference processes and the model or knowledge base for a computerized problem-solving system are likely to be incomplete for any given complex, real-world task. To deal with the resultant brittleness, it has been suggested that 'cooperative' rather than 'automated' problem-solving systems be designed. Such cooperative systems are proposed to explicitly enhance the collaboration of people and the computer system when working in partnership to solve problems. This study evaluates the impact of alternative design concepts on the performance of airline pilots interacting with such a cooperative system designed to support enroute flight planning. Thirty pilots were studied using three different versions of the system. The results clearly demonstrate that different system design concepts can strongly influence the cognitive processes of users. Indeed, one of the designs studied caused four times as many pilots to accept a poor flight amendment. Based on think-aloud protocols, cognitive models are proposed to account for how features of the computer system interacted with specific types of scenarios to influence exploration and decision-making by the pilots. The results are then used to develop recommendations for guiding the design of cooperative systems.
Smith, Philip J.↗
A sparse matrix–vector multiplication based algorithm for accurate density matrix computations on systems of millions of atoms
Here we present an efficient sparse matrix–vector (SpMV) based method to compute the density matrix P from a given Hamiltonian in electronic structure computations. Our method is a hybrid approach based on Chebyshev–Jackson approximation theory and matrix purification methods like the second order spectral projection purification (SP2). Recent methods to compute the density matrix scale as O(N) in the number of floating point operations but are accompanied by large memory and communication overhead, and they are based on iterative use of the sparse matrix–matrix multiplication kernel (SpGEMM), which is known to be computationally irregular. In addition to irregularity in the sparse Hamiltonian H, the nonzero structure of intermediate estimates of P depends on products of H and evolves over the course of computation. On the other hand, an expansion of the density matrix P in terms of Chebyshev polynomials is straightforward and SpMV based; however, the resulting density matrix may not satisfy the required constraints exactly. In this paper, we analyze the strengths and weaknesses of the Chebyshev–Jackson polynomials and the second order spectral projection purification (SP2) method, and propose to combine them so that the accurate density matrix can be computed using the SpMV computational kernel only, and without having to store the density matrix P. Our method accomplishes these objectives by using the Chebyshev polynomial estimate as the initial guess for SP2, which is followed by using sparse matrix–vector multiplications (SpMVs) to replicate the behavior of the SP2 algorithm for purification. We demonstrate the method on a tight-binding model system of an oxide material containing more than 3 million atoms. In addition, we also present the predicted behavior of our method when applied to near-metallic Hamiltonians with a wide energy spectrum.
42 ENGINEERING↗
Expert-System Consultant To Operating Personnel
Artificial intelligence aids engineers and technicians in controlling and monitoring complicated systems. Operations Analyst for Distributed Systems (OPERA) software is developmental suite of expert-system computer programs helping engineers and technicians operating from number of computer workstations to control and monitor spacecraft during prelaunch and launch phases of operation. OPERA designed to serve as consultant to operating engineers and technicians. It preprocesses incoming data, using expertise collected from conglomerate of specialists in design and operation of various parts of system. Driven by menus and mouse-activated commands. Modified versions of OPERA used in chemical-processing plants, factories, banks, and other enterprises in which there are distributed-computer systems including computers that monitor or control other computers.
Heard, Astrid E.↗
Dynamic graph system for a semantic database
A method and system in a computer system for dynamically providing a graphical representation of a data store of entries via a matrix interface is disclosed. A dynamic graph system provides a matrix interface that exposes to an application program a graphical representation of data stored in a data store such as a semantic database storing triples. To the application program, the matrix interface represents the graph as a sparse adjacency matrix that is stored in compressed form. Each entry of the data store is considered to represent a link between nodes of the graph. Each entry has a first field and a second field identifying the nodes connected by the link and a third field with a value for the link that connects the identified nodes. The first, second, and third fields represent the rows, column, and elements of the adjacency matrix.
97 MATHEMATICS AND COMPUTING↗
Functional requirements for design of the Space Ultrareliable Modular Computer (SUMC) system simulator
The functional requirements for the design of an interpretive simulator for the space ultrareliable modular computer (SUMC) are presented. A review of applicable existing computer simulations is included along with constraints on the SUMC simulator functional design. Input requirements, output requirements, and language requirements for the simulator are discussed in terms of a SUMC configuration which may vary according to the application.
Curran, R. T.↗
Support for User Interfaces for Distributed Systems
An extensible Java(TradeMark) software framework supports the construction and operation of graphical user interfaces (GUIs) for distributed computing systems typified by ground control systems that send commands to, and receive telemetric data from, spacecraft. Heretofore, such GUIs have been custom built for each new system at considerable expense. In contrast, the present framework affords generic capabilities that can be shared by different distributed systems. Dynamic class loading, reflection, and other run-time capabilities of the Java language and JavaBeans component architecture enable the creation of a GUI for each new distributed computing system with a minimum of custom effort. By use of this framework, GUI components in control panels and menus can send commands to a particular distributed system with a minimum of system-specific code. The framework receives, decodes, processes, and displays telemetry data; custom telemetry data handling can be added for a particular system. The framework supports saving and later restoration of users configurations of control panels and telemetry displays with a minimum of effort in writing system-specific code. GUIs constructed within this framework can be deployed in any operating system with a Java run-time environment, without recompilation or code changes.
Eychaner, Glenn↗
PASTA: A Parallel Sparse Tensor Algorithm Benchmark Suite
Tensor methods have gained increasingly attention from various applications, including machine learning, quantum chemistry, healthcare analytics, social network analysis, data mining, and signal processing, to name a few. Sparse tensors and their algorithms become critical to further improve the performance of these methods and enhance the interpretability of their output. This work presents a sparse tensor algorithm benchmark suite (PASTA) for single- and multi-core CPUs. To the best of our knowledge, this is the first benchmark suite for sparse tensor world. PASTA targets on: 1) helping application users to evaluate different computer systems using its representative computational workloads; 2) providing insights to better utilize existed computer architecture and systems and inspiration for the future design. This benchmark suite will be publicly released.
HPC, sparse tensor, benchmark↗
Efficient loading of reduced data ensembles produced at ORNL SNS/HFIR neutron time-of-flight facilities
We present algorithmic improvements to the loading operations of certain reduced data ensembles produced from neutron scattering experiments at Oak Ridge National Laboratory (ORNL) facilities. Ensembles from multiple measurements are required to cover a wide range of the phase space of a sample material of interest. They are stored using the standard NeXus schema on individual HDF5 files. This makes it a scalability challenge, as the number of experiments stored increases in a single ensemble file. The present work follows up on our previous efforts on data management algorithms, to address identified input output (I/O) bottlenecks in Mantid, an open-source data analysis framework used across several neutron science facilities around the world. We reuse an in-memory binary-tree metadata index that resembles data access patterns, to provide a scalable search and extraction mechanism. In addition, several memory operations are refactored and optimized for the current common use cases, ranging most frequently from 10 to 180, and up to 360 separate measurement configurations. Results from this work show consistent speed ups in wall-clock time on the Mantid LoadMD routine, ranging from 19% to 23% on average, on ORNL production computing systems. The latter depends on the complexity of the targeted instrument-specific data and the system I/O and compute variability for the shared computational resources available to users of ORNL’s Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) instruments. Nevertheless, we continue to highlight the need for more research to address reduction challenges as experimental data volumes, user time and processing costs increase.
Godoy, William↗
Y-12 Groundwater Protection Program Data Management Plan
This Data Management Plan (DMP) describes the processes in place to ensure the integrity of groundwater monitoring information collected by the U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA), Y-12 National Security Complex (Y-12), Groundwater Protection Program (GWPP). This information includes program plans, reports, and computer systems used to capture monitoring station information and analytical data. The primary computer system used by the GWPP is the Groundwater Information Management System (GIMS). Procedures used to ensure the integrity of the data are included in this document by reference.
54 ENVIRONMENTAL SCIENCES↗
A method of billing third generation computer users
A method is presented for charging users for the processing of their applications on third generation digital computer systems is presented. For background purposes, problems and goals in billing on third generation systems are discussed. Detailed formulas are derived based on expected utilization and computer component cost. These formulas are then applied to a specific computer system (UNIVAC 1108). The method, although possessing some weaknesses, is presented as a definite improvement over use of second generation billing methods.
Anderson, P. N.↗