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Sawyer, William

Publications and source records attributed to Sawyer, William.

Hierarchical domain structures associated with oxygen octahedra tilting patterns in lead-free (Bi 1/2 Na 1/2 )TiO 3

Hierarchical domain structures associated with oxygen octahedra tilting patterns were observed in lead-free (Bi 1/2 Na 1/2 )TiO 3 ceramics using aberration-corrected high-resolution transmission electron microscopy (HRTEM). Three types of domains are induced by distinct mechanisms: the 'orientation-domain' is induced at micrometer scale formed by different tilting orientations of the oxygen octahedra, the 'meso-chemical-domain' occurs at a few tens of nanometer scale by chemical composition variation on the A-site in the ABO 3 perovskite structure, and the 'nano-cluster-region' runs across several unit-cells with apparent A-site cation segregation with oxygen vacancies clustering around Na cations. Based on HRTEM amplitude contrast imaging (ACI), the correlation between the oxygen octahedral tilting pattern and compositional non-stoichiometry was established. The role of the hierarchical domain structure associated with the tilting patterns of the oxygen octahedra on the ferroelectric behavior of (Bi 1/2 Na 1/2 )TiO 3 is also discussed.

36 MATERIALS SCIENCE↗

The ICON-A model for direct QBO simulations on GPUs (version icon-cscs:baf28a514)

Abstract. Classical numerical models for the global atmosphere, as used for numerical weather forecasting or climate research, have been developed for conventional central processing unit (CPU) architectures. This hinders the employment of such models on current top-performing supercomputers, which achieve their computing power with hybrid architectures, mostly using graphics processing units (GPUs). Thus also scientific applications of such models are restricted to the lesser computer power of CPUs. Here we present the development of a GPU-enabled version of the ICON atmosphere model (ICON-A), motivated by a research project on the quasi-biennial oscillation (QBO), a global-scale wind oscillation in the equatorial stratosphere that depends on a broad spectrum of atmospheric waves, which originates from tropical deep convection. Resolving the relevant scales, from a few kilometers to the size of the globe, is a formidable computational problem, which can only be realized now on top-performing supercomputers. This motivated porting ICON-A, in the specific configuration needed for the research project, in a first step to the GPU architecture of the Piz Daint computer at the Swiss National Supercomputing Centre and in a second step to the JUWELS Booster computer at the Forschungszentrum Jülich. On Piz Daint, the ported code achieves a single-node GPU vs. CPU speedup factor of 6.4 and allows for global experiments at a horizontal resolution of 5 km on 1024 computing nodes with 1 GPU per node with a turnover of 48 simulated days per day. On JUWELS Booster, the more modern hardware in combination with an upgraded code base allows for simulations at the same resolution on 128 computing nodes with 4 GPUs per node and a turnover of 133 simulated days per day. Additionally, the code still remains functional on CPUs, as is demonstrated by additional experiments on the Levante compute system at the German Climate Computing Center. While the application shows good weak scaling over the tested 16-fold increase in grid size and node count, making also higher resolved global simulations possible, the strong scaling on GPUs is relatively poor, which limits the options to increase turnover with more nodes. Initial experiments demonstrate that the ICON-A model can simulate downward-propagating QBO jets, which are driven by wave–mean flow interaction.

54 ENVIRONMENTAL SCIENCES↗

Brookhaven Lab Hosts Hackathon Focused on Graphics Processing Units (GPUs)

For five days in June 2017, Brookhaven Lab’s Computational Science Initiative hosted “Brookathon”—a programming workshop where teams of researchers, students, and software developers worked with mentors to accelerate scientific applications on GPUs for high-performance computing.

97 MATHEMATICS AND COMPUTING↗

Refactoring and Componentizing Legacy Codes: GMI Case Study

As Earth science applications grow increasingly complex over time, maintenance of such software becomes a significant challenge. In general, the software subsystems were designed, implemented and integrated (over an extended period of time) by different groups that did not follow the same software design standard. The objective was understandably to obtain scientific results quickly, but this goal was often achieved at the expense of good software practices. With that pattern of development, the cost of incremental changes to the applications grow ominously large. This increase in effort, tends to squeeze development resources and largely prevent any systematic attempt to reintroduce better software practices and thereby enhance the maintainability of the software. In this paper, we present the process we used to incrementally refactor and componentize the Global Modeling Initiative code to make it more understandable, maintainable, flexible and extensible. The resulting product not only preserves the scientific integrity of the original code but also extends the capabilities of the code for several applications.

Kouatchou, Jules↗

Data Management as a Cluster Middleware Centerpiece

Through earth and space modeling and the ongoing launches of satellites to gather data, NASA has become one of the largest producers of data in the world. These large data sets necessitated the creation of a Data Management System (DMS) to assist both the users and the administrators of the data. Halcyon Systems Inc. was contracted by the NASA Center for Computational Sciences (NCCS) to produce a Data Management System. The prototype of the DMS was produced by Halcyon Systems Inc. (Halcyon) for the Global Modeling and Assimilation Office (GMAO). The system, which was implemented and deployed within a relatively short period of time, has proven to be highly reliable and deployable. Following the prototype deployment, Halcyon was contacted by the NCCS to produce a production DMS version for their user community. The system is composed of several existing open source or government-sponsored components such as the San Diego Supercomputer Center s (SDSC) Storage Resource Broker (SRB), the Distributed Oceanographic Data System (DODS), and other components. Since Data Management is one of the foremost problems in cluster computing, the final package not only extends its capabilities as a Data Management System, but also to a cluster management system. This Cluster/Data Management System (CDMS) can be envisioned as the integration of existing packages.

Zero, Jose↗

Technical Report Series on Global Modeling and Data Assimilation: Filtering Techniques on a Stretched Grid General Circulation Model - Volume 16

This report documents the techniques used to filter quantities on a stretched grid general circulation model. Standard high-latitude filtering techniques (e.g., using an FFT (Fast Fourier Transformations) to decompose and filter unstable harmonics at selected latitudes) applied on a stretched grid are shown to produce significant distortions of the prognostic state when used to control instabilities near the pole. A new filtering technique is developed which accurately accounts for the non-uniform grid by computing the eigenvectors and eigenfrequencies associated with the stretching. A filter function, constructed to selectively damp those modes whose associated eigenfrequencies exceed some critical value, is used to construct a set of grid-spaced weights which are shown to effectively filter without distortion. Both offline and GCM (General Circulation Model) experiments are shown using the new filtering technique. Finally, a brief examination is also made on the impact of applying the Shapiro filter on the stretched grid.

Takacs, Lawrence L.↗

Regional Climate Simulation with a Variable Resolution Stretched Grid GCM: The Regional Down-Scaling Effects

The results obtained with the variable resolution stretched grid (SG) GEOS GCM (Goddard Earth Observing System General Circulation Models) are discussed, with the emphasis on the regional down-scaling effects and their dependence on the stretched grid design and parameters. A variable resolution SG-GCM and SG-DAS using a global stretched grid with fine resolution over an area of interest, is a viable new approach to REGIONAL and subregional CLIMATE studies and applications. The stretched grid approach is an ideal tool for representing regional to global scale interactions. It is an alternative to the widely used nested grid approach introduced a decade ago as a pioneering step in regional climate modeling. The GEOS SG-GCM is used for simulations of the anomalous U.S. climate events of 1988 drought and 1993 flood, with enhanced regional resolution. The height low level jet, precipitation and other diagnostic patterns are successfully simulated and show the efficient down-scaling over the area of interest the U.S. An imitation of the nested grid approach is performed using the developed SG-DAS (Data Assimilation System) that incorporates the SG-GCM. The SG-DAS is run with withholding data over the area of interest. The design immitates the nested grid framework with boundary conditions provided from analyses. No boundary condition buffer is needed for the case due to the global domain of integration used for the SG-GCM and SG-DAS. The experiments based on the newly developed versions of the GEOS SG-GCM and SG-DAS, with finer 0.5 degree (and higher) regional resolution, are briefly discussed. The major aspects of parallelization of the SG-GCM code are outlined. The KEY OBJECTIVES of the study are: 1) obtaining an efficient DOWN-SCALING over the area of interest with fine and very fine resolution; 2) providing CONSISTENT interactions between regional and global scales including the consistent representation of regional ENERGY and WATER BALANCES; 3) providing a high computational efficiency for future SG-GCM and SG-DAS versions using PARALLEL codes.

Fox-Rabinovitz, Michael S.↗