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Miller, Phil

Publications and source records attributed to Miller, Phil.

Kokkos v.4.0

SAND2023-07883O Kokkos software implements C++ performance portability programming models, tools and math libraries, which enables science and engineering software developers to use single-source codes for a wide range of computer architectures. Kokkos also provides implementations of existing and proposed C++ standard features that support programming model and math libraries that are used for implementing performance-portable scientific and engineering applications. The Kokkos libraries provide algorithms, data structures, and tools to enable high-performance computing developers to write performance-portable code. Capabilities fall into three broad categories: Kokkos Core, Kokkos Kernels, and Kokkos Tools. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Towards predicting removal rate and surface roughness during grinding of optical materials

A series of controlled grinding experiments, utilizing loose or fixed abrasives of either alumina or diamond at various particle sizes, were performed on a wide range of optical workpiece materials [single crystals of Al 2 O 3 (sapphire), SiC, Y 3 Al 5 O 12 (YAG), CaF 2 , and LiB 3 O 5 (LBO); a SiO 2 -Al 2 O 3 -P 2 O 5 -Li 2 O glass ceramic (Zerodur); and glasses of SiO 2 :TiO 2 (ULE), SiO 2 (fused silica), and P 2 O 5 -Al 2 O 3 -K 2 O-BaO (Phosphate)]. The material removal rate, surface roughness, and the morphology of surface fractures were measured. Separately, Vickers indentation was performed on the workpieces, and the depths of various crack types as a function of applied load was measured. Single pass grinding experiments showed distinct differences in the spatial pattern of surface fracturing between the loose alumina abrasive (isolated indent-type lateral cracking) and the loose or fixed diamond abrasive (scratch-type elongated lateral cracking). Each of the grinding methods had a removal rate and roughness that scaled with the lateral crack slope, sℓ (i.e. the rate of increase in lateral crack depth with the applied load) of the workpiece material. A grinding model (based on the volumetric removal of lateral cracks accounting for neighboring lateral crack removal efficiency and the fraction of abrasive particles leading to fracture initiation) and a roughness model (based on the depth of lateral cracks or the interface gap between the workpiece and lap) are shown to quantitatively describe the material removal rate and roughness as a function of workpiece material, abrasive size, applied pressure and relative velocity. This broad, multi-process variable grinding model can serve as a predictive tool for estimating grinding rates and surface roughness for various grinding processes on different workpiece materials

36 MATERIALS SCIENCE↗

DARMA-EMPIRE Integration and Performance Assessment – Interim Report

We begin by presenting an overview of the general philosophy that is guiding the novel DARMA developments, followed by a brief reminder about the background of this project. We finally present the FY19 design requirements. As the Exascale era arises, DARMA is uniquely positioned at the forefront of asychronous many-task (AMT) research and development (R&D) to explore emerging programming model paradigms for next-generation HPC applications at Sandia, across NNSA labs, and beyond. The DARMA project explores how to fundamentally shift the expression(PM) and execution(EM)of massively concurrent HPC scientific algorithms to be more asynchronous, resilient to executional aberrations in heterogeneous/unpredictable environments, and data-dependency conscious—thereby enabling an intelligent, dynamic, and self-aware runtime to guide execution.

97 MATHEMATICS AND COMPUTING↗

Electrochemical Detection of Single Molecules in Nanogap Electrode Fluidic Devices

The purpose of this project was to gain a fundamental understanding of molecular diffusion in nanogap electrodes and the diffusive behavior of single molecules undergoing electron transfer. Electrochemical methods for single molecule detection have remained elusive due to the vanishingly small currents involved in single molecule electron transfer. Electrochemical detection of single molecules undergoing redox cycling would enable detection of single enzymes, proteins, and DNA strands resulting in new and improved ultrasensitive sensing devices impacting Detection At The Limits research challenge (DATL), supporting needs in DHS and DoD. We attempted to integrate orthogonal validation techniques, Total Internal Reflection Fluorescence Microscopy (TIRF), and molecular simulation to clarify (1) the mechanism leading to current build up due to redox cycling and (2) diffusion and adsorption of single molecules undergoing redox reactions. While creation of nanogap electrodes with transparent windows was ultimately successful in this project (along with TIRF demonstration of single molecule imaging), time and methods constraints did not allow final electrochemical measurements to be coupled for simultaneous interrogation.

74 ATOMIC AND MOLECULAR PHYSICS↗

Relationship between surface μ‐roughness and interface slurry particle spatial distribution during glass polishing

Abstract During optical glass polishing, a number of interactions between the workpiece (i.e., glass), polishing slurry, and pad can influence the resulting workpiece roughness at different spatial scale lengths. In our previous studies, the particle size distribution of the slurry, the pad topography, and the amount of material removed by a single particle on the workpiece were shown to strongly correlate with roughness at AFM scale lengths (nm‐μm) and weakly at μ‐roughness scale lengths (μm‐mm). In this study, the polishing slurry pH and the generation of glass removal products are shown to influence the slurry particle spatial and height distribution at the polishing interface and the resulting μ‐roughness of the glass workpiece. A series of fused silica and phosphate glass samples were polished with various ceria and colloidal silica slurries over a range of slurry pH , and the resulting AFM roughness and μ‐roughness were measured. The AFM roughness was largely invariant with pH , suggesting that the removal function of a single particle is unchanged with pH . However, the μ‐roughness changed significantly, increasing linearly with pH for phosphate glass and having a maximum at an intermediate pH for fused silica. In addition, the spatial and height distribution of slurry particles on the pad (as measured by laser confocal microscopy) was determined to be distinctly different at low and high pH during phosphate glass polishing. Also, the zeta potential as a function of pH was measured for the workpiece, slurry, and pad with and without surrogate glass products (K 3 PO 4 for phosphate glass and Si( OH ) 4 for silica) to assess the role of interfacial charge during polishing. The addition of K 3 PO 4 significantly raised the zeta potential, whereas addition of Si( OH ) 4 had little effect on the zeta potential. An electrostatic DLVO three‐body force model, using the measured zeta potentials, was used to calculate the particle–particle, particle–workpiece, and particle–pad attractive and repulsive forces as a function of pH and the incorporation of glass products at the interface. The model predicted an increase in particle–pad attraction with an increase in pH and phosphate glass products consistent with the measured slurry distribution on the pads during phosphate glass polishing. Finally, a slurry “island” distribution gap ( IDG ) model has been formulated which utilizes the measured interface slurry distributions and a load balance to determine the interface gap, the contact area fraction, and the load on each slurry “island”. The IDG model was then used to simulate the workpiece surface topography and μ‐roughness; the results show an increase in roughness with pH similar to that observed experimentally.

Suratwala, Tayyab↗

Scalable Replay with Partial-Order Dependencies for Message-Logging Fault Tolerance

Deterministic replay of a parallel application is commonly used for discovering bugs or to recover from a hard fault with message-logging fault tolerance. For message passing programs, a major source of overhead during forward execution is recording the order in which messages are sent and received. During replay, this ordering must be used to deterministically reproduce the execution. Previous work in replay algorithms often makes minimal assumptions about the programming model and application in order to maintain generality. However, in many cases, only a partial order must be recorded due to determinism intrinsic in the code, ordering constraints imposed by the execution model, and events that are commutative (their relative execution order during replay does not need to be reproduced exactly). In this paper, we present a novel algebraic framework for reasoning about the minimum dependencies required to represent the partial order for different concurrent orderings and interleavings. By exploiting this theory, we improve on an existing scalable message-logging fault tolerance scheme. The improved scheme scales to 131,072 cores on an IBM BlueGene/P with up to 2x lower overhead than one that records a total order.

fault tolerance↗

Scalable Algorithms for Distributed-Memory Adaptive Mesh Refinement

This paper presents scalable algorithms and data structures for adaptive mesh refinement computations. We describe a novel mesh restructuring algorithm for adaptive mesh refinement computations that uses a constant number of collectives regardless of the refinement depth. To further increase scalability, we describe a localized hierarchical coordinate-based block indexing scheme in contrast to traditional linear numbering schemes, which incur unnecessary synchronization. In contrast to the existing approaches which take O(P) time and storage per process, our approach takes only constant time and has very small memory footprint. With these optimizations as well as an efficient mapping scheme, our algorithm is scalable and suitable for large, highly-refined meshes. We present strong-scaling experiments up to 2k ranks on Cray XK6, and 32k ranks on IBM Blue Gene/Q.

Langer, Akhil↗

Mapping Dense LU Factorization on Multicore Supercomputer Nodes

Dense LU factorization is a prominent benchmark used to rank the performance of supercomputers. Many implementations use block-cyclic distributions of matrix blocks onto a two-dimensional process grid. The process grid dimensions drive a trade-off between communication and computation and are architecture- and implementation-sensitive. The critical panel factorization steps can be made less communication-bound by overlapping asynchronous collectives for pivoting with the computation of rank-k updates. By shifting the computation-communication trade-off, a modified block-cyclic distribution can beneficially exploit more available parallelism on the critical path, and reduce panel factorization's memory hierarchy contention on now-ubiquitous multicore architectures. During active panel factorization, rank-1 updates stream through memory with minimal reuse. In a column-major process grid, the performance of this access pattern degrades as too many streaming processors contend for access to memory. A block-cyclic mapping in the row-major order does not encounter this problem, but consequently sacrifices node and network locality in the critical pivoting steps. We introduce 'striding' to vary between the two extremes of row- and column-major process grids. The maximum available parallelism in the critical path work (active panel factorization, triangular solves, and subsequent broadcasts) is bounded by the length or width of the process grid. Increasing one dimension of the process grid decreases the number of distinct processes and nodes in the other dimension. To increase the harnessed parallelism in both dimensions, we start with a tall process grid. We then apply periodic 'rotation' to this grid to restore exploited parallelism along the row to previous levels. As a test-bed for further mapping experiments, we describe a dense LU implementation that allows a block distribution to be defined as a general function of block to processor. Other mappings can be tested wit...

Computer Science↗

Web-Altairis: An Internet-Enabled Ground System

This paper describes Web-Altairis, an Internet-enabled ground system software package funded by the Advanced Automation and Architectures Branch (Code 588) of NASA's Goddard Space Flight Center. Web-Altairis supports the trend towards "lights out" ground systems, where the control center is unattended and problems are resolved by remote operators. This client/server software runs on most popular platforms and provides for remote data visualization using the rich functionality of the VisAGE toolkit. Web-Altairis also supports satellite commanding over the Internet. This paper describes the structure of Web-Altairis and VisAGE, the underlying technologies, the provisions for security, and our experiences in developing and testing the software.

Miller, Phil↗