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At least 1,081 records · Page 60

Priority research directions for in situ data management: Enabling scientific discovery from diverse data sources

In January 2019, the US Department of Energy, Office of Science program in Advanced Scientific Computing Research, convened a workshop to identify priority research directions (PRDs) for in situ data management (ISDM). A fundamental finding of this workshop is that the methodologies used to manage data among a variety of tasks in situ can be used to facilitate scientific discovery from many different data sources—simulation, experiment, and sensors, for example—and that being able to do so at numerous computing scales will benefit real-time decision-making, design optimization, and data-driven scientific discovery. This article describes six PRDs identified by the workshop, which highlight the components and capabilities needed for ISDM to be successful for a wide variety of applications—making ISDM capabilities more pervasive, controllable, composable, and transparent, with a focus on greater coordination with the software stack and a diversity of fundamentally new data algorithms.

97 MATHEMATICS AND COMPUTING↗

Raman Lidar (RL) Instrument Handbook

The Raman lidar at the ARM Climate Research Facility (ACRF) Southern Great Plains (SGP) Central Facility (SGPRL) is an active, ground-based laser remote sensing instrument that measures height and time resolved profiles of water vapor mixing ratio and several cloud- and aerosol-related quantities. The system is a non-commercial custom-built instrument developed by Sandia National Laboratories specifically for the ARM Program. It is fully computer automated, and will run unattended for many days following a brief (~5-minute) startup period. The self-contained system (requiring only external electrical power) is housed in a climate-controlled 8’x8’x20’ standard shipping container.

54 ENVIRONMENTAL SCIENCES↗

Software Construction and Composition Tools for Petascale Computing SCW0837 Progress Report

The majority of scientific software is distributed as source code. As the number of library dependencies and supported platforms increases, so does the complexity of describing the rules for configuring and building software. In this project, we have performed an empirical study of the magnitude of the build problem by examining the development history of two DOE-funded scientific software projects. We have developed MixDown, a meta-build tool, to simplify the task of building applications that depend on multiple third-party libraries. The results of this research indicate that the effort that scientific programmers spend takes a significant fraction of the total development effort and that the use of MixDown can significantly simplify the task of building software with multiple dependencies.

97 MATHEMATICS AND COMPUTING↗

A New Tool for Effective and Efficient Project Management

Organizations routinely handle thousands of projects per year, and it is difficult to manage all these projects concurrently. Too often, projects do not get the attention they need when they need it. Management inattention can lead to late projects or projects with less than desirable content and/or deliverables. This paper discusses the application of Visual Project Management (VPM) as a method to track and manage projects. The VPM approach proved to be a powerful management tool without the overhead and restrictions of traditional management methods.

99 GENERAL AND MISCELLANEOUS↗

Prism Users Guide (V.1.0)

Prism is a ParaView plugin that simultaneously displays simulation data and material model data. This document describes its capabilities and how to use them. A demonstration of Prism is given in the first section. The second section contains more detailed notes on less obvious behavior. The third and fourth sections are specifically for Alegra and CTH users. They tell how to generate the simulation data and SESAME files and how to handle aspects of Prism use particular to each of these codes.

99 GENERAL AND MISCELLANEOUS↗

Verification of the Coupled Fluid/Solid Transfer in a CASL Grid-to-Rod-Fretting Simulation: A Technical Brief on the Analysis of Convergence Behavior and Demonstration of Software Tools for Verification

For a CASL grid-to-rod fretting problem, Sandia's Percept software was used in conjunction with the Sierra Mechanics suite to analyze the convergence behavior of the data transfer from a fluid simulation to a solid mechanics simulation. An analytic function, with properties relatively close to numerically computed fluid approximations, was chosen to represent the pressure solution in the fluid domain. The analytic pressure was interpolated on a sequence of grids on the fluid domain, and transferred onto a separate sequence of grids in the solid domain. The error in the resulting pressure in the solid domain was measured with respect to the analytic pressure. The error in pressure approached zero as both the fluid and solids meshes were refined. The convergence of the transfer algorithm was limited by whether the source grid resolution was the same or finer than the target grid resolution. In addition, using a feature coverage analysis, we found gaps in the solid mechanics code verification test suite directly relevant to the prototype CASL GTRF simulations.

99 GENERAL AND MISCELLANEOUS↗

Uncertainty Quantification of Hypothesis Testing for the Integrated Knowledge Engine

The Integrated Knowledge Engine (IKE) is a tool of Bayesian analysis, based on Bayesian Belief Networks or Bayesian networks for short. A Bayesian network is a graphical model (directed acyclic graph) that allows representing the probabilistic structure of many variables assuming a localized type of dependency called the Markov property. The Markov property in this instance makes any node or random variable to be independent of any non-descendant node given information about its parent. A direct consequence of this property is that it is relatively easy to incorporate new evidence and derive the appropriate consequences, which in general is not an easy or feasible task. Typically we use Bayesian networks as predictive models for a small subset of the variables, either the leave nodes or the root nodes. In IKE, since most applications deal with diagnostics, we are interested in predicting the likelihood of the root nodes given new observations on any of the children nodes. The root nodes represent the various possible outcomes of the analysis, and an important problem is to determine when we have gathered enough evidence to lean toward one of these particular outcomes. This document presents criteria to decide when the evidence gathered is sufficient to draw a particular conclusion or decide in favor of a particular outcome by quantifying the uncertainty in the conclusions that are drawn from the data. The material in this document is organized as follows: Section 2 presents briefly a forensics Bayesian network, and we explore evaluating the information provided by new evidence by looking first at the posterior distribution of the nodes of interest, and then at the corresponding posterior odds ratios. Section 3 presents a third alternative: Bayes Factors. In section 4 we finalize by showing the relation between the posterior odds ratios and Bayes factors and showing examples these cases, and in section 5 we conclude by providing clear guidelines of how to use these for the type of Bayesian networks used in IKE.

97 MATHEMATICS AND COMPUTING↗

Cooperative Application/OS DRAM Fault Recovery

Exascale systems will present considerable fault-tolerance challenges to applications and system software. These systems are expected to suffer several hard and soft errors per day. Unfortunately, many fault-tolerance methods in use, such as rollback recovery, are unsuitable for many expected errors, for example DRAM failures. As a result, applications will need to address these resilience challenges to more effectively utilize future systems. In this paper, we describe work on a cross-layer application/OS framework to handle uncorrected memory errors. We illustrate the use of this framework through its integration with a new fault-tolerant iterative solver within the Trilinos library, and present initial convergence results.

99 GENERAL AND MISCELLANEOUS↗

Hydra-TH User's Manual, Dated: December 1, 2011 (V.LA-CC-11-120)

Hydra-TH is a hybrid finite-element/finite-volume code built using the Hydra toolkit specifically to attack a broad class of incompressible, viscous fluid dynamics problems prevalent in the thermal-hydraulics community. The purpose for this manual is provide sufficient information for an experience analyst to use Hydra-TH in an effective way. The Hydra-TH User's Manual present a brief overview of capabilities and visualization interfaces. The execution and restart models are described before turning to the detailed description of keyword input. Finally, a series of example problems are presented with sufficient data to permit the user to verify the local installation of Hydra-TH, and to permit a convenient starting point for more detailed and complex analyses.

97 MATHEMATICS AND COMPUTING↗

Moab Job Priority (aka. Why is my Job not Running?) [Slides]

Why is a job not running is the most frequent Moab question we receive. 93%* of the time, the answer is, “because the cluster is busy” and the job has to wait its turn (*not really, but seems like it). Most users want to know why other jobs launched in front of their own, and a subset of those want to know what they can do about it.

97 MATHEMATICS AND COMPUTING↗

SDAV Viz July Progress Update: LANL

SDAV Viz July Progress Update: (1) VPIC (Vector Particle in Cell) Kinetic Plasma Simulation Code - (a) Implemented first version of an in-situ adapter based on Paraview CoProcessing Library, (b) Three pipelines: vtkDataSetMapper, vtkContourFilter, vtkPistonContour, (c) Next, resolve issue at boundaries of processor domains; add more advanced viz/analysis pipelines; (2) Halo finding/merger trees - (a) Summer student Wathsala W. from University of Utah is working on data-parallel halo finder algorithm using PISTON, (b) Timo Bremer (LLNL), Valerio Pascucci (Utah), George Zagaris (Kitware), and LANL people are interested in using merger trees for tracking the evolution of halos in cosmo simulations; discussed possible overlap with work by Salman Habib and Katrin Heitmann (Argonne) during their visit to LANL 7/11; (3) PISTON integration in ParaView - Now available from ParaView github.

97 MATHEMATICS AND COMPUTING↗

Next-Generation Solvers for Mixed-Integer Nonlinear Programs: Structure, Search, and Implementation (Final Report)

The mathematical modeling of systems often requires the use of both nonlinear and discrete components. Problems involving both discrete and nonlinear components are known as mixed-integer nonlinear programs (MINLPs) and are among the most challenging computational optimization problems. This research project added to the understanding of this area by making a number of fundamental advances. First, the work demonstrated many novel, strong, tractable relaxations designed to deal with non-convexities arising in mathematical formulation. Second, the research implemented the ideas in software that is available to the public. Finally, the work demonstrated the importance of these ideas on practical applications and disseminated the work through scholarly journals, survey publications, and conference presentations.

97 MATHEMATICS AND COMPUTING↗

FleCSI: Connection to Legion

These are slides which are part of the ASC L2 Milestone Review. The following topics are covered: Legion Backend, Distributed-Memory Partitioning, Sparse Data Representations, and MPI-Legion Interoperability.

97 MATHEMATICS AND COMPUTING↗

Topology Optimization for Nonlinear Transient Applications Using a Minimally Invasive Approach (LDRD Final Report)

The purpose of this project was to devise, implement, and demonstrate a method that can use Sandia's existing analysis codes (e.g., Sierra, Alegra, the CTH hydro code) with minimal modification to generate objective function gradients for optimization-based design in transient, non-linear, coupled-physics applications. The approach uses a Moving Least Squares representation of the geometry to substantially reduce the number of geometric degrees of freedom. A Multiple-Program Multiple-Data computing model is then used to compute objective gradients via finite differencing. Details of the formulation and implementation are provided, and example applications are presented that show effectiveness and scalability of the approach.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Development of Reduced Glass Furnace Model to Optimize Process Operation (Final Report)

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and PPG Industries to develop a reduced-order glass furnace model that enables plant operators to make informed, real time process adjustments. This CRADA project is sponsored under the High-Performance Computing for Manufacturing (HPC4Mfg) Program of the Department of Energy's Advanced Manufacturing Office (AMO) within the Energy Efficiency and Renewable Energy (EERE) Office. This program ran from June 2016 to July 2017 with no extensions.

42 ENGINEERING↗