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At least 1,027 records · Page 57

Accelerated application development: The ORNL Titan experience

The use of computational accelerators such as NVIDIA GPUs and Intel Xeon Phi processors is now widespread in the high performance computing community, with many applications delivering impressive performance gains. However, programming these systems for high performance, performance portability and software maintainability has been a challenge. In this paper we discuss experiences porting applications to the Titan system. Titan, which began planning in 2009 and was deployed for general use in 2013, was the first multi-petaflop system based on accelerator hardware. To ready applications for accelerated computing, a preparedness effort was undertaken prior to delivery of Titan. In this paper we report experiences and lessons learned from this process and describe how users are currently making use of computational accelerators on Titan.

97 MATHEMATICS AND COMPUTING↗

A scalable framework for the global offline community land model ensemble simulation

Current earth system models have a large range of uncertainty, owing to differences in the simulation of feedbacks and insufficient information to constrain model parameters. Parameter disturbance experiment provides a straightforward method to quantify the variation (uncertainty) outputs caused by model inputs. Owing to the software complexity and computational intensity of earth system models, a large-scale simulation framework is needed to support ensemble simulation required by parameter disturbance experiment. This paper presents a parallel framework for the community land model ensemble simulation. After a software structure review of the community land model simulation, a single factor parameter disturbance experiment of a reference computational experiment design is used to demonstrate the software design principles, computational characteristics of individual application, parallel ensemble simulation implementation, as well as the weak scalability of this simulation framework on a high-end computer. Lastly, the paper discusses some preliminary diagnostic analysis results of the single factor parameter disturbance experiments. The framework design considerations and implementation details described in this paper can be beneficial to many other research programmes involving large scale, legacy modelling system.

58 GEOSCIENCES↗

The FIFE Project at Fermilab

The FabrIc for Frontier Experiments (FIFE) project is an initiative within the Fermilab Scientific Computing Division designed to steer the computing model for non-LHC Fermilab experiments across multiple physics areas. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying size, needs, and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of solutions for high throughput computing, data management, database access and collaboration management within an experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid compute sites along with dedicated and commercial cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including a common job submission service, software and reference data distribution through CVMFS repositories, flexible and robust data transfer clients, and access to opportunistic resources on the Open Science Grid. The progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken the leading role in defining the computing model for Fermilab experiments, aided in the design of experiments beyond those hosted at Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide.

Box, D.↗

Practical Operations of Energy Storage Providing Ancillary Services: From Day-Ahead to Real-Time

As renewable resources are increasingly penetrating power systems, energy storage systems (ESSs) become essential in providing both energy arbitrage and ancillary services. Because of its high flexibility, ESSs have been taken into account in the daily operation of the bulk power system in many places. This paper proposes a general framework in the current electricity market environment to help system operators model the participation of multi-type ESSs and evaluate the performance of both energy arbitrage and reserve provision. We discuss different levels of ESSs' flexibility in providing ancillary services and also consider a deliberate and practical implementation of the modeling. This framework can be seamlessly integrated into the daily market operation without sacrificing computational efficiency. Numerical experiments validate the efficacy of the proposed framework and show that ESSs possess excellent potential in providing ancillary services for the bulk power system.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Virtual Reality Simulation of the International Space Welding Experiment

Virtual Reality (VR) is a set of breakthrough technologies that allow a human being to enter and fully experience a 3-dimensional, computer simulated environment. A true virtual reality experience meets three criteria: (1) It involves 3-dimensional computer graphics; (2) It includes real-time feedback and response to user actions; and (3) It must provide a sense of immersion. Good examples of a virtual reality simulator are the flight simulators used by all branches of the military to train pilots for combat in high performance jet fighters. The fidelity of such simulators is extremely high -- but so is the price tag, typically millions of dollars. Virtual reality teaching and training methods are manifestly effective, and we have therefore implemented a VR trainer for the International Space Welding Experiment. My role in the development of the ISWE trainer consisted of the following: (1) created texture-mapped models of the ISWE's rotating sample drum, technology block, tool stowage assembly, sliding foot restraint, and control panel; (2) developed C code for control panel button selection and rotation of the sample drum; (3) In collaboration with Tim Clark (Antares Virtual Reality Systems), developed a serial interface box for the PC and the SGI Indigo so that external control devices, similar to ones actually used on the ISWE, could be used to control virtual objects in the ISWE simulation; (4) In collaboration with Peter Wang (SFFP) and Mark Blasingame (Boeing), established the interference characteristics of the VIM 1000 head-mounted-display and tested software filters to correct the problem; (5) In collaboration with Peter Wang and Mark Blasingame, established software and procedures for interfacing the VPL DataGlove and the Polhemus 6DOF position sensors to the SGI Indigo serial ports. The majority of the ISWE modeling effort was conducted on a PC-based VR Workstation, described below.

Phillips, James A.↗

How to Safely Build 100-plus Kilograms of Weapons-Grade Plutonium

The goal of the EUCLID (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) project was to reduce compensating errors by utilizing machine learning to both help determine which reactions contain compensating errors as well as optimizing an experiment which can be used to maximally reduce these errors. Compensating errors can adversely impact the predictive power of application simulations, and therefore it’s useful to further constrain nuclear data and reduce these errors. The EUCLID project included building two configurations at the National Criticality Experiments Research Center (NCERC). These two configurations had very different geometries (one was cube-like and one was slab-like). Previous works focus on selection of the target experiment(s), radiation transport capabilities developed in the project, the experiment optimization, and the performance of the experiments. This work will focus only on the safety aspects of performing this experiment, which utilized over 100 kg of weapons-grade plutonium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The EUCLID Experiment and Nuclear Data Library Comparisons

The EUCLID (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) project at Los Alamos National Laboratory (LANL) was a Laboratory Directed Research and Development project which aimed to reduce compensating errors in nuclear data. One major component of the project was a series of critical experiments, both measuring k eff and various other observables with the goal of using these experiments to constrain 239 Pu nuclear data uncertainties and identify compensating errors. This paper details some of the experiment design and how various nuclear data libraries simulate the EUCLID system, including sensitivities compared to Jezebel.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development of a low-cost virtual reality workstation for training and education

Virtual Reality (VR) is a set of breakthrough technologies that allow a human being to enter and fully experience a 3-dimensional, computer simulated environment. A true virtual reality experience meets three criteria: (1) it involves 3-dimensional computer graphics; (2) it includes real-time feedback and response to user actions; and (3) it must provide a sense of immersion. Good examples of a virtual reality simulator are the flight simulators used by all branches of the military to train pilots for combat in high performance jet fighters. The fidelity of such simulators is extremely high -- but so is the price tag, typically millions of dollars. Virtual reality teaching and training methods are manifestly effective, but the high cost of VR technology has limited its practical application to fields with big budgets, such as military combat simulation, commercial pilot training, and certain projects within the space program. However, in the last year there has been a revolution in the cost of VR technology. The speed of inexpensive personal computers has increased dramatically, especially with the introduction of the Pentium processor and the PCI bus for IBM-compatibles, and the cost of high-quality virtual reality peripherals has plummeted. The result is that many public schools, colleges, and universities can afford a PC-based workstation capable of running immersive virtual reality applications. My goal this summer was to assemble and evaluate such a system.

Phillips, James A.↗

VADER: A Tool for Criticality Safety Validation

The purpose of criticality safety is to prevent any inadvertent criticality from occurring during the handling or storage of fissile material. Calculations are frequently used to demonstrate that a sufficient subcritical margin exists. Validation is a key aspect of the evaluation process, establishing the suitability, accuracy, and associated uncertainty of the computational method and data to be used for the intended application. The validation process is performed by comparing the results of critical experiments with the calculated results from models of the experiments using the computational method to be validated. Laboratory critical experiments are controlled systems that achieve a k eff of approximately 1 in order to investigate the parameters at which such a critical condition is achieved. The validation parameters that are traditionally applied to safety analysis calculations are the bias and the bias uncertainty . The bias is the deviation of the average k eff of the validation suite from unity. The bias uncertainty accounts for the statistical uncertainty in the bias based on the standard deviation, sample size, and distribution of k eff values of the validation suite. The values of bias and bias uncertainty ensure that the systems predicted to be subcritical by the computational method will indeed be subcritical. The bias and bias uncertainty are often combined to determine an upper subcritical limit (USL) or computational margin that can then be applied to safety analysis calculations. Many methods have been developed by different organizations to calculate the bias and bias uncertainty for various types of criticality analyses. Each of these methods typically requires that the validity of various underpinning statistical assumptions be confirmed to demonstrate that the method is appropriate for the analysis of a given validation suite. An example of the validation decision making flow is shown in Fig.1. As shown in Fig. 1, the analyst performing the validation fits a trend line to the data and performs a test to determine if the trend was a statistically better representation of the data than if it were treated as an uncorrelated sample. If the trend line is a better representation of the data, then the analyst uses any one of a number of trending techniques to determine the bias and bias uncertainty. If a trend is not an appropriate representation of the data, then the analyst proceeds to perform a normality assessment for the data. If the normal assumption can be shown to be acceptable, then the analyst calculates the bias and bias uncertainty with the parametric technique. If the assumption of normality cannot be justified, then the nonparametric technique is used. Once the decision flow has been followed and the appropriate technique has been selected, the bias and bias uncertainty is typically combined with an administrative margin to determine a USL below which calculated values of k eff for safety analysis models can be considered subcritical. The calculations used in each decision are often performed with spreadsheets or with small programs available at various sites performing criticality analyses. Expertise in understanding and interpreting the results must be maintained to perform these calculations. This can often be an error-prone process. Oak Ridge National Laboratory (ORNL) is currently developing the Validation and Data Evaluation Resource (VADER) to simplify and automate the criticality safety validation process and to provide a software quality assurance pedigree to the calculational methods used. This paper discusses the use of the Fulcrum user interface with VADER, the anticipated initial capabilities of VADER to perform validation analyses, and the output from the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The effects of format in computer-based procedure displays

Two experiments were conducted to investigate display variables likely to influence the effectiveness of computer-based procedure displays. In experiment 1, procedures were presented in three formats, text, extended-text, and flowchart. Text and extended-text are structured prose formats which differ in the spatial density of presentation. The flowchart format differs from the text format in both syntax and spatial representation. Subjects were required to use the procedures to diagnose a hypothetical system anomaly. The results indicate that performance was most accurate with the flowchart format. In experiment 2, procedure window size was varied (6-line, 12-line, and 24-line) in addition to procedure format. In the six line window condition, experiment 2 replicated the findings of experiment 1. As predicted, completion times for flowchart procedures decreased with increasing window size; however, accuracy of performance decreased substantially. Implications for the design of computer-based procedure displays are discussed.

Desaulniers, David R.↗

Single institutional experience with initial ultrasound followed by computed tomography or magnetic resonance imaging for acute appendicitis in adults

Purpose: The objectives of this study was to assess the performance of ultrasound (US) for suspected appendicitis in adult patients and to evaluated the additive value of short-interval (within 1 week) computed tomography (CT) or Magnetic Resonance Imaging (MRI) after performing an initial US. Methods: In this IRB-approved, HIPAA-compliant, retrospective study, electronic medical records (EMRs) were queried for “US appendicitis” performed over a 2-year interval. EMR was reviewed for CT or MRI performed within 1 week of this exam, and if any new or additional information was available at subsequent exam. White count, patient disposition, and pathology, if surgery was performed, were also recorded. Results: 682 patients underwent US for appendicitis over a 2-year duration, age range from 18 to 92 years (average: 30.1 years, M:F = 141:541). Findings showed 126/682 patients with normal appendix, 75/682 uncomplicated appendicitis, and 4/682 with complicated appendicitis. When performed, no additional findings were seen in these groups on short-interval CT or MRI. 2/682 patients had equivocal findings on US but eventually had normal appendix identified on CT. Four hundred and seventy-three patients had non-visualized appendix, of which only 14/473 (3.1%) eventually had appendicitis. Conclusions: Ultrasound is an effective initial modality for evaluating appendicitis even in adult patients. Once a normal appendix, uncomplicated or complicated appendicitis is identified on US, no further imaging is necessary. Very few patients with non-visualization of the appendix eventually have appendicitis. Hence, these patients can be managed with active clinical follow-up rather than immediate CT or MRI. Symptoms and clinical scoring systems can be used for triage of these patients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING↗

Data Assimilation using Non-invasive Monte Carlo Sensitivity Analysis of Reactor Kinetics Parameters

Accurately predicting the criticality of an experiment before interacting with the experimental components is very important for criticality safety. Radiation transport software can be utilized to calculate the effective neutron multiplication factor of a nuclear system. Because of the integral nature of the effective neutron multiplication factor, the value calculated contains various sources of nuclear-data induced uncertainty. The sensitivity analysis and data assimilation technique presented in this paper exhibit one possible method of identifying and reducing the effective neutron multiplication factor nuclear-data induced uncertainty. The results presented in this work show that it is possible to use relative sensitivity coefficients of the prompt neutron decay constant and the effective delayed neutron fraction to 239 Pu nuclear data to reduce nuclear-data induced uncertainties in the effective neutron multiplication factor. This work has been utilized by members of the Los Alamos National Laboratory project EUCLID (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) for optimally designing a new experiment, which will be used to reduce compensating errors in 239 Pu nuclear data.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Porting the WAVEWATCH III (v6.07) wave action source terms to GPU

Abstract. Surface gravity waves play a critical role in several processes, including mixing, coastal inundation, and surface fluxes. Despite the growing literature on the importance of ocean surface waves, wind–wave processes have traditionally been excluded from Earth system models (ESMs) due to the high computational costs of running spectral wave models. The development of the Next Generation Ocean Model for the DOE’s (Department of Energy) E3SM (Energy Exascale Earth System Model) Project partly focuses on the inclusion of a wave model, WAVEWATCH III (WW3), into E3SM. WW3, which was originally developed for operational wave forecasting, needs to be computationally less expensive before it can be integrated into ESMs. To accomplish this, we take advantage of heterogeneous architectures at DOE leadership computing facilities and the increasing computing power of general-purpose graphics processing units (GPUs). This paper identifies the wave action source terms, W3SRCEMD, as the most computationally intensive module in WW3 and then accelerates them via GPU. Our experiments on two computing platforms, Kodiak (P100 GPU and Intel(R) Xeon(R) central processing unit, CPU, E5-2695 v4) and Summit (V100 GPU and IBM POWER9 CPU) show respective average speedups of 2× and 4× when mapping one Message Passing Interface (MPI) per GPU. An average speedup of 1.4× was achieved using all 42 CPU cores and 6 GPUs on a Summit node (with 7 MPI ranks per GPU). However, the GPU speedup over the 42 CPU cores remains relatively unchanged (∼ 1.3×) even when using 4 MPI ranks per GPU (24 ranks in total) and 3 MPI ranks per GPU (18 ranks in total). This corresponds to a 35 %–40 % decrease in both simulation time and usage of resources. Due to too many local scalars and arrays in the W3SRCEMD subroutine and the huge WW3 memory requirement, GPU performance is currently limited by the data transfer bandwidth between the CPU and the GPU. Ideally, OpenACC routine directives could be used to further improve performance. However, W3SRCEMD would require significant code refactoring to make this possible. We also discuss how the trade-off between the occupancy, register, and latency affects the GPU performance of WW3.

58 GEOSCIENCES↗

Apollo experience report: Real-time auxiliary computing facility development

The Apollo real time auxiliary computing function and facility were an extension of the facility used during the Gemini Program. The facility was expanded to include support of all areas of flight control, and computer programs were developed for mission and mission-simulation support. The scope of the function was expanded to include prime mission support functions in addition to engineering evaluations, and the facility became a mandatory mission support facility. The facility functioned as a full scale mission support activity until after the first manned lunar landing mission. After the Apollo 11 mission, the function and facility gradually reverted to a nonmandatory, offline, on-call operation because the real time program flexibility was increased and verified sufficiently to eliminate the need for redundant computations. The evaluation of the facility and function and recommendations for future programs are discussed in this report.

Allday, C. E.↗

Detailed geoid computations for GEOS-C altimeter experiment areas

The GEOS-C spacecraft is scheduled to carry onboard a radar altimeter for the purpose of measuring the geoid undulations in oceanic areas. An independently derived geoid map will provide a valuable complement to these experiments. A detailed gravimetric geoid is presented for the Atlantic and northeast Pacific Ocean areas based upon a combination of the Goddard Space Flight Center GEM-6 earth model and surface 1 deg x 1 deg gravity data. As part of this work a number of satellite derived gravity models were evaluated to establish the model which best represented the long wave length features of the geoid in the above mentioned area. Comparisons of the detailed geoid with the astrogeodetic data provided by the National Ocean Survey and dynamically derived tracking station heights indicate that the accuracy of this combined geoid is on the order of 2 meters or better where data was dense and 5 to 7 meters where data was less dense.

Marsh, J. G.↗

Chandrasekhar-type algorithms for fast recursive estimation in linear systems with constant parameters

In this recursive method proposed, the gain matrix for the Kalman filter and the convariance of the state vector are computed not via the Riccati equation, but from certain other equations. These differential equations are of Chandrasekhar-type. The 'invariant imbedding' idea resulted in the reduction of the basic boundary value problem of transport theory to an equivalent initial value system, a significant computational advance. Initial value experience showed that there is some computational savings in the method and the loss of positive definiteness of the covariance matrix is less vulnerable.

Choudhury, A. K.↗