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Shephard, Mark

Publications and source records attributed to Shephard, Mark.

Center for Tokamak Transient Simulations (RPI Unstructured Mesh Developments for FES SciDAC4 Partnerships) (Final Report)

The goal of this project was the development of unstructured mesh technologies for fusion simulation codes” for FES SciDAC partnerships and to integrate those technologies into the simulation workflows of those partnerships. Specific developments were executed in support of the following FES SciDAC4 partnerships: Partnership Center for High‐fidelity Boundary Plasma Simulation (HBPS), Center for Integrated Simulation of Fusion Relevant RF (RF‐SciDAC), Center for Plasma Surface Interactions: Predicting the Performance and Impact of Dynamic PFC Surfaces (PSI2), and Center for Tokamak Transient Simulations (CTTS). The key unstructured mesh development areas addressed in this project include (i) methods to most effectively perform PIC calculations on unstructured meshes; (ii) creating meshes for fusion systems accounting for any desired level of geometric complexity and providing physics aware mesh configurations, (iii) adapting unstructured meshes to control the discretization errors, (iv) executing unstructured mesh calculations on GPU accelerated systems, (v) supporting physics/application‐specific PIC operations including surface/wall interactions of particles, (vi) providing infrastructure tools to support the interactions of solvers with unstructured meshes, and (vii) providing advanced methods for coupling plasma physics codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Community Project for Accelerator Science and Simulation-3

The focus of the Rensselaer efforts for COMPASS-3 was the development of parallel mesh adaptation procedures for high-order unstructured meshes where elements must be curved to properly approximate the domain geometry. The procedures developed were integrated into the ACE3P accelerator modeling code. Areas of development included: High order curved mesh representations that can provide the orders of geometric approximation needed. A curved mesh adaptation procedure that can match an adaptively defined anisotropic mesh metric field. In-memory integration of these procedures with the Omega3P code to provide an effective parallel adaptive simulation work flow. Improved dynamic load balancing tools that account for the degrees of freedom associated with the various order mesh entities (vertices, edges, faces and regions).

42 ENGINEERING↗

Frameworks, Algorithms, and Scalable Technologies for Mathematics (FASTMath) SciDAC Institute

The FASTMath SciDAC Institute addressed two key challenges that application scientists faced at the beginning of SciDAC-3. First, FASTMath helped them continue to improve the quality of their simulations by increasing accuracy and reliability of both their software and algorithms. Second, FASTMath helped them adapt their computations to make effective use of high-end computing facilities acquired by DOE over the past five years. This required the development of new mathematical algorithms that were appropriate for the physics problems being solved, implementations that scaled to million-way parallelism, and software that effectively leveraged both distributed memory and on-node parallelism. The Rensselaer Polytechnic Institute team’s efforts focused on the unstructured mesh technologies developed by FASTMath.

97 MATHEMATICS AND COMPUTING↗

Initial CEED API (CEED-MS10)

Key components of CEED software development involve fast finite element operator storage and evaluation, architecture optimizations, performant algorithms for all orders, global kernels for finite element operators, efficient use of the memory sub-system, optimal data locality and motion, enhanced scalability and parallelism, and fast tensor contractions. As ultimate goals of the project, CEED is exploring and identifying the best algorithms for the full range of discretizations and applying algorithmic and software development to support ECP applications’ needs. In this milestone, we initiated the development and implementation of a common CEED API consisting of two main components: low-level and high-level APIs. We accomplished the goal of having the low-level component ready for the release of CEED v1.0 in the next quarter, see CEED-MS13. In this report we also provide a highlight from CEED’s integration with the MARBL app and the corresponding Laghos miniapp. A main theme in this work has been the systematic transition of advanced algorithms, developed and tested in Laghos, to the large-scale multi-physics settings of the MARBL code. The low-level CEED API provides a set of FE kernels and components for writing new low-level kernels. Examples include: vector and sparse linear algebra, element matrix assembly over a batch of elements, partial assembly and action for efficient high-order operators like mass, diffusion, advection, etc. The main goal of the low-level API is to establish the basis for the high-level API. Also, identifying such low-level kernels and providing a reference implementation for them serves as the basis for collaboration with vendors and STs. Another goal for the low-level API is to make it easy for applications with their own discretization infrastructure, who do not want to switch directly to using the high-level CEED API, to still evaluate and use the core operations provided by the low-level API. One of the challenges with high-order methods is that a global sparse matrix is no longer a good representation of a high-order linear operator, both with respect to the FLOPs needed for its evaluation, as well as the memory transfer needed for a matvec. Thus, another important question we tried to address while developing the low-level API is: is it possible to abstract out in a natural and efficient way the different implementations and data structures that arise when dealing with various computational device types: CPUs, GPUs, etc. Fully answering this question is beyond the scope of this particular milestone, since that requires longer time as we develop and expand the devices we support. The future high-level API will be the frontend provided by CEED consisting of high-level abstractions such as meshes, finite element spaces and solutions, bilinear forms, solvers, etc. At this high-level, an important aspect of the API will be to provide a uniform abstraction layer for writing code in a portable manner. To achieve that, we plan to utilize the MPI programming model combined with a device abstraction layer (DAL) for finite element computations that we will develop. The DAL will serve as the bridge between the low- and the high-level APIs, allowing a variety of programming models to be used for the low-level kernel implementations. The software artifacts delivered as part of this milestone include an initial CEED API software implementation (libCEED) provided through the CEED website, http://ceed.exascaleproject.org and the CEED GitHub organization, http://github.com/ceed. In addition to details and results from the above R&D efforts, in this document we are also reporting on other project-wide activities performed in Q1 of FY18, including: the Nek5000 v17.0 MFEM v3.3.2 and PETSc v3.8 releases, collaborations with ECP/ST and SciDAC projects, the inaugural Nek5000 hackathon and various outreach activities.

97 MATHEMATICS AND COMPUTING↗

The fusion code XGC: Enabling kinetic study of multi-scale edge turbulent transport in ITER [Book Chapter]

The XGC fusion gyrokinetic code combines state-of-the-art, portable computational and algorithmic technologies to enable complicated multiscale simulations of turbulence and transport dynamics in ITER edge plasma on the largest US open-science computer, the CRAY XK7 Titan, at its maximal heterogeneous capability, which have not been possible before due to a factor of over 10 shortage in the time-to-solution for less than 5 days of wall-clock time for one physics case. Frontier techniques such as nested OpenMP parallelism, adaptive parallel I/O, staging I/O and data reduction using dynamic and asynchronous applications interactions, dynamic repartitioning for balancing computational work in pushing particles and in grid related work, scalable and accurate discretization algorithms for non-linear Coulomb collisions, and communication-avoiding subcycling technology for pushing particles on both CPUs and GPUs are also utilized to dramatically improve the scalability and time-to-solution, hence enabling the difficult kinetic ITER edge simulation on a present-day leadership class computer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nadir Measurements of Carbon Monoxide Distributions by the Tropospheric Emission Spectrometer Instrument Onboard the Aura Spacecraft: Overview of Analysis Approach and Examples of Initial Results

We provide an overview of the nadir measurements of carbon monoxide (CO) obtained thus far by the Tropospheric Emission Spectrometer (TES). The instrument is a high resolution array Fourier transform spectrometer designed to measure infrared spectral radiances from low Earth orbit. It is one of four instruments successfully launched onboard the Aura platform into a sun synchronous orbit at an altitude of 705 km on July 15, 2004 from Vandenberg Air Force Base, California. Nadir spectra are recorded at 0.06/cm spectral resolution with a nadir footprint of 5 x 8 km. We describe the TES retrieval approach for the analysis of the nadir measurements, report averaging kernels for typical tropical and polar ocean locations, characterize random and systematic errors for those locations, and describe instrument performance changes in the CO spectral region as a function of time. Sample maps of retrieved CO for the middle and upper troposphere from global surveys during December 2005 and April 2006 highlight the potential of the results for measurement and tracking of global pollution and determining air quality from space.

carbon monoxide↗

Distributed Finite Element Analysis Using a Transputer Network

The principal objective of this research effort was to demonstrate the extraordinarily cost effective acceleration of finite element structural analysis problems using a transputer-based parallel processing network. This objective was accomplished in the form of a commercially viable parallel processing workstation. The workstation is a desktop size, low-maintenance computing unit capable of supercomputer performance yet costs two orders of magnitude less. To achieve the principal research objective, a transputer based structural analysis workstation termed XPFEM was implemented with linear static structural analysis capabilities resembling commercially available NASTRAN. Finite element model files, generated using the on-line preprocessing module or external preprocessing packages, are downloaded to a network of 32 transputers for accelerated solution. The system currently executes at about one third Cray X-MP24 speed but additional acceleration appears likely. For the NASA selected demonstration problem of a Space Shuttle main engine turbine blade model with about 1500 nodes and 4500 independent degrees of freedom, the Cray X-MP24 required 23.9 seconds to obtain a solution while the transputer network, operated from an IBM PC-AT compatible host computer, required 71.7 seconds. Consequently, the $80,000 transputer network demonstrated a cost-performance ratio about 60 times better than the $15,000,000 Cray X-MP24 system.

Watson, James↗