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At least 73 records · Page 4

User Manual - HydraGNN v5.0: Distributed Implementation of Multi-Tasking Graph Neural Networks

This document serves as the user manual for HydraGNN v5.0, a scalable graph neural network (GNN) architecture for simultaneous prediction of multiple target properties using multi-task learning (MTL). This version of HydraGNN has been developed primarily to support the development, training, and deployment of predictive graph-based deep learning (DL) models for atomistic materials modeling. HydraGNN is templated over 13 message-passing policies, including invariant models (GIN, PNA, PNAPlus, GAT, MFC, CGCNN, SAGE, SchNet, DimeNet) and equivariant models (EGNN, PNAEq, PAINN, MACE), and supports distributed training via distributed data parallelism (DDP), DeepSpeed, and Fully Sharded Data Parallelism (FSDP) on leadership-class supercomputers. Although HydraGNN can be applied to problems beyond atomistic materials modeling, its current use is confined to homogeneous graphs. Additional capabilities include machine-learned interatomic potentials with energy-conserving forces, General, Powerful, and Scalable Graph Transformer (GraphGPS) global attention, periodic boundary conditions, hyperparameter optimization, mixed-precision training, and uncertainty quantification.

97 MATHEMATICS AND COMPUTING

MHOST version 4.2. Volume 1: Users' manual

This manual describes the user options available for running the MHOST finite element analysis package. MHOST is a solid and structural analysis program based on mixed finite element technology, and is specifically designed for three-dimensional inelastic analysis. A family of two- and three-dimensional continuum elements along with beam and shell structural elements can be utilized. Many options are available in the constitutive equation library, the solution algorithms and the analysis capabilities. An overview of the algorithms, a general description of the input data formats, and a discussion of input data for selecting solution algorithms are given.

Nakazawa, Shohei

Lewis inverse design code (LINDES): Users manual

The method of complex characteristics and hodograph transformation for the design of shockless airfoils was introduced by Bauer, Garabedian, and Korn and has been extended by the author to design subcritical and supercritical cascades with high solidities and large inlet angles. This new capability was achieved by introducing a new conformal mapping of the hodograph domain onto an ellipse and expanding the solution in terms of Chebyshev polynomials. A new computer code, the NASA Lewis inverse design code, was developed based on this idea. This new design code is an efficient method for the design of airfoils in cascade. In particular, the design of subcritical cascades of airfoils is a very fast, robust, and versatile process. The inverse design code can be made to interact with a turbulent boundary layer calculation to obtain airfoils with no separated flows at the design condition. This report is intended to serve as a users manual for this design code. Material previously reported by the author is included here for completeness and quick access to the user. The manual contains a description of the method followed by a discussion of the design procedure and examples. The input parameters necessary to run the code are then described and their default values given. Output listings corresponding to six different blade shapes designed with the code are given, as well as the necessary input data to reproduce the computer runs. The examples have been chosen to show that a wide range of applications can be covered with the code, ranging from supercritical propeller sections to wind tunnel turning vanes that can operate with a large inlet flow angle range.

Sanz, Jose M.

The REPACT Tool: User Manual [Slides]

Reuse of Existing Pipelines for Adapted Carbon Transport (REPACT) is an Excel-based screening tool. This tool enables the user to determine whether a pipeline originally deployed for natural gas transport, can be reused for CO 2 transport. The tool along with its associated users manual walk through an intended usage statement, setup instructions, a list of inputs and outputs in the tool, and frequently used protocols. Please note that this is a first-pass screening tool. The approach presented within this tool is valid for high-level evaluation only and should not be used to make engineering, financial, and/or regulatory decisions. Access the tool here: https://www.netl.doe.gov/energy-analysis/details?id=c699a604-ded1-45cd-b1c0-247b1405aeeb

03 NATURAL GAS

User Manual for the NASA Glenn Ice Accretion Code LEWICE. Version 2.2.2

A research project is underway at NASA Glenn to produce a computer code which can accurately predict ice growth under a wide range of meteorological conditions for any aircraft surface. This report will present a description of the code inputs and outputs from version 2.2.2 of this code, which is called LEWICE. This version differs from release 2.0 due to the addition of advanced thermal analysis capabilities for de-icing and anti-icing applications using electrothermal heaters or bleed air applications. An extensive effort was also undertaken to compare the results against the database of electrothermal results which have been generated in the NASA Glenn Icing Research Tunnel (IRT) as was performed for the validation effort for version 2.0. This report will primarily describe the features of the software related to the use of the program. Appendix A of this report has been included to list some of the inner workings of the software or the physical models used. This information is also available in the form of several unpublished documents internal to NASA. This report is intended as a replacement for all previous user manuals of LEWICE. In addition to describing the changes and improvements made for this version, information from previous manuals may be duplicated so that the user will not need to consult previous manuals to use this code.

Wright, William B.

Radiological Safety Analysis Computer (RSAC) Program Version 7.4 Users’ Manual

The Radiological Safety Analysis Computer (RSAC) Program Version 7.4 (RSAC-7) is the newest version of the RSAC legacy code. RSAC-7 calculates the consequences of a release of radionuclides to the atmosphere. Users generates a fission product inventory from either reactor operating history or a nuclear criticality event. RSAC-7 models the effects of high-efficiency particulate air filters or other cleanup systems and calculates the decay and ingrowth during transport through processes, facilities, and the environment. Doses are calculated for inhalation, air immersion, ground surface, ingestion, and cloud gamma pathways. RSAC-7 is used as a tool to evaluate accident conditions in emergency response scenarios, radiological sabotage events, and safety basis accident consequences. This users’ manual contains the mathematical models and operating instructions for RSAC-7. Instructions, screens, and examples are provided to guide the user through the functions provided by RSAC-7. This program is designed for users who are familiar with radiological dose assessment methods.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS

Image Data Processing System (IDAPS) user manual, S-056 experiment. Volume 1: System description. Volume 2: Batch IDAPS. Volume 3: Interactive IDAPS

Image data processing system (IDAPS) developed to satisfy the image processing requirements of the Skylab S-056 experiment is described. The S-056 experiment was designed to obtain high-resolution photographs of the sun in the far ultraviolet, or soft X-ray, portion of the electromagnetic spectrum. Thirty-five thousand photographs were obtained by the three flights of the program; and, faced with such a massive volume of imagery, the designers of the experiment decided to develop a computer-based system which would reduce the image processing workload. The purpose of the IDAPS User Manual is to give the IDAPS user the necessary information and instructions to effectively utilize the system.

Source record

User Manual for the Thermal Hydraulic Code SE2RCT

SE2-ANL is a modified version of SUPERENERGY-2 which interfaces the power distribution in the ANL maintained physics codes for the user. SE2RCT is a special version of SE2-ANL developed for specific use on models of the Experimental Breeder Reactor-II (EBR-II). SE2RCT fulfills a specific role in the calculated results as part of the Fuels Irradiation and Physics Database (FIPD) and is built to connect with the Physics and Analysis DataBase (PADB) for metallic fuel research and development in advanced sodium-cooled fast reactors (SFRs) created for EBR-II. SE2RCT is primarily a thermal analysis code that interfaces with the RCT based pin power details instead of the built-in pin power dehomogenization strategy in SE2-ANL. Beyond the thermal hydraulic calculation, the SE2RCT code provides detailed axial distributions of the RCT calculated results. SE2RCT also calculates the the axial distribution of pin wise DPA for the cladding materials which is part of the FIPD calculated results. This report serves as the user manual for SE2RCT and thus eliminates the QA gap of missing documentation on the SE2RCT software. All of the features and limitations of SE2RCT are documented in this report. The input and output specifications of SE2RCT are discussed in detail, and some unique features of SE2RCT, e.g. accurate pin power and temperature results for problems with non-uniform composition within an assembly, are also demonstrated and tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Scheduler software for tracking and data relay satellite system loading analysis: User manual and programmer guide

A user guide and programmer documentation is provided for a system of PRIME 400 minicomputer programs. The system was designed to support loading analyses on the Tracking Data Relay Satellite System (TDRSS). The system is a scheduler for various types of data relays (including tape recorder dumps and real time relays) from orbiting payloads to the TDRSS. Several model options are available to statistically generate data relay requirements. TDRSS time lines (representing resources available for scheduling) and payload/TDRSS acquisition and loss of sight time lines are input to the scheduler from disk. Tabulated output from the interactive system includes a summary of the scheduler activities over time intervals specified by the user and overall summary of scheduler input and output information. A history file, which records every event generated by the scheduler, is written to disk to allow further scheduling on remaining resources and to provide data for graphic displays or additional statistical analysis.

Craft, R.

Method for the prediction of the installation aerodynamics of a propfan at subsonic speeds: User manual

This document is the user's guide for the method developed earlier for predicting the slipstream wing interaction at subsonic speeds. The analysis involves a subsonic panel code (HESS code) modified to handle the propeller onset flow. The propfan slipstream effects are superimposed on the normal flow boundary condition and are applied over the surface washed by the slipstream. The effects of the propeller slipstream are to increase the axial induced velocity, tangential velocity, and a total pressure rise in the wake of the propeller. Principles based on blade performance theory, momentum theory, and vortex theory were used to evaluate the slipstream effects. The code can be applied to any arbitrary three dimensional geometry, expressed in the form of HESS input format. The code can handle a propeller alone configuration or a propeller/nacelle/airframe configuration, operating up to high subcritical Mach numbers over a range of angles of attack. Inclusion of a viscous modelling is briefly outlined. Wind tunnel results/theory comparisons are included as examples for the application of the code to a generic supercritical wing/overwing Nacelle with a powered propfan. A sample input/output listing is provided.

Chandrasekaran, B.

Fatigue crack growth model RANDOM2 user manual, appendix 1

The FORTRAN program RANDOM2 is documented. RANDOM2 is based on fracture mechanics using a probabilistic fatigue crack growth model. It predicts the random lifetime of an engine component to reach a given crack size. Included in this user manual are details regarding the theoretical background of RANDOM2, input data, instructions and a sample problem illustrating the use of RANDOM2. Appendix A gives information on the physical quantities, their symbols, FORTRAN names, and both SI and U.S. Customary units. Appendix B includes photocopies of the actual computer printout corresponding to the sample problem. Appendices C and D detail the IMSL, Ver. 10(1), subroutines and functions called by RANDOM2 and a SAS/GRAPH(2) program that can be used to plot both the probability density function (p.d.f.) and the cumulative distribution function (c.d.f.).

Boyce, Lola

Fatigue strength reduction model: RANDOM3 and RANDOM4 user manual, appendix 2

The FORTRAN programs RANDOM3 and RANDOM4 are documented. They are based on fatigue strength reduction, using a probabilistic constitutive model. They predict the random lifetime of an engine component to reach a given fatigue strength. Included in this user manual are details regarding the theoretical backgrounds of RANDOM3 and RANDOM4. Appendix A gives information on the physical quantities, their symbols, FORTRAN names, and both SI and U.S. Customary units. Appendix B and C include photocopies of the actual computer printout corresponding to the sample problems. Appendices D and E detail the IMSL, Version 10(1), subroutines and functions called by RANDOM3 and RANDOM4 and SAS/GRAPH(2) programs that can be used to plot both the probability density functions (p.d.f.) and the cumulative distribution functions (c.d.f.).

Boyce, Lola

MultiPEM Toolbox: User Manual

This document explains use of the Multi-Phenomenology Explosion Monitoring (Multi PEM) Toolbox, a collection of R scripts for estimating the unknown device parameters of a new event with uncertainty quantification. The methodology and application used for il lustration in this user manual are published in Geophysical Journal International and fully documented in a Los Alamos National Laboratory technical report hereafter designated “WPA” for reference. Additional details on the application are found in a recent journal article. Two assessment types are available: rapid and complete.

58 GEOSCIENCES

FASTER 3: A generalized-geometry Monte Carlo computer program for the transport of neutrons and gamma rays. Volume 2: Users manual

A description of the FASTER-III program for Monte Carlo Carlo calculation of photon and neutron transport in complex geometries is presented. Major revisions include the capability of calculating minimum weight shield configurations for primary and secondary radiation and optimal importance sampling parameters. The program description includes a users manual describing the preparation of input data cards, the printout from a sample problem including the data card images, definitions of Fortran variables, the program logic, and the control cards required to run on the IBM 7094, IBM 360, UNIVAC 1108 and CDC 6600 computers.

Jordan, T. M.

User manual and programmer reference manual for the ATS-6 navigation model AOIPS and McIDAS versions, part 2

Development of a navigation system for a given satellite is reported. An algorithm for converting a satellite picture element location to earth location and vice versa was defined as well as a procedure for measuring the set of constants needed by the algorithm. A user manual briefly describing the current version of the navigation model and how to use the computer programs developed for it is presented.

Chatters, G. C.

TFaNS-Tone Fan Noise Design/Prediction System: Users' Manual TFaNS Version 1.5

TFaNS is the Tone Fan Noise Design/Prediction System developed by Pratt & Whitney under contract to NASA Glenn. The purpose of this system is to predict tone noise emanating from a fan stage including the effects of reflection and transmission by the rotor and stator and by the duct inlet and nozzle. The first version of this design system was developed under a previous NASA contract. Several improvements have been made to TFaNS. This users' manual shows how to run this new system. TFaNS consists of the codes that compute the acoustic properties (reflection and transmission coefficients) of the various elements and writes them to files, CUP3D Fan Noise Coupling Code that reads these files, solves the coupling problem, and outputs the desired noise predictions, and AWAKEN CFD/Measured Wake Postprocessor which reformats CFD wake predictions and/or measured wake data so they can be used by the system. This report provides information on code input and file structure essential for potential users of TFaNS.

Topol, David A.