SurfaceNets is a powerful visualization technique typically used to contour non-continuous, discrete, volumetric scalar fields such as segmentation label maps. Label maps are ubiquitous to medical computing, biological studies, and materials characterization, used in applications ranging from anatomical atlas creation to nanotechnology analysis. Due to the uniform spacing of volume data, however, representing data with highly variable resolution is challenging. Consequently we have developed a generalized high-performance, parallel SurfaceNets algorithm that processes unorganized, labeled point clouds. Based on a scalable, meshless Voronoi approach, the algorithm independently processes each Voronoi hull in parallel using a hierarchical neighborhood point search metric. By employing novel topological constructs, the resulting meshless tessellation can be readily transformed into a connected conformal mesh, from which multiple, valid contour surfaces can be simultaneously extracted and smoothed. Additional contributions include a general API for locating points proximal to Voronoi hulls; the definition of topological coordinates used to detect and eliminate numerical degeneracies, merge coincident points, rapidly produce the dual Delaunay triangulation, and build smoothing stencils; and the construction of a Voronoi adjacency graph along with associated necessary conditions to ensure the generation of valid tessellations. Characterization of parallel performance is also quantified, including producing Voronoi and Delaunay tessellations of 128 million hulls and more than 750 million tetrahedra. A software implementation is available from the open source the Visualization Toolkit (VTK) system at vtk.org.

With the onset of extreme-scale computing, I/O constraints make it increasingly difficult for scientists to save a sufficient amount of raw simulation data to persistent storage. One potential solution is to change the data analysis pipeline from a post-process centric to a concurrent approach based on either in-situ or in-transit processing. In this context computations are considered in-situ if they utilize the primary compute resources, while in-transit processing refers to offloading computations to a set of secondary resources using asynchronous data transfers. In this paper we explore the design and implementation of three common analysis techniques typically performed on large-scale scientific simulations: topological analysis, descriptive statistics, and visualization. We summarize algorithmic developments, describe a resource scheduling system to coordinate the execution of various analysis workflows, and discuss our implementation using the DataSpaces and ADIOS frameworks that support efficient data movement between in-situ and in-transit computations. We demonstrate the efficiency of our lightweight, flexible framework by deploying it on the Jaguar XK6 to analyze data generated by S3D, a massively parallel turbulent combustion code. Our framework allows scientists dealing with the data deluge at extreme scale to perform analyses at increased temporal resolutions, mitigate I/O costs, and significantly improve the time to insight.

Accurate failure prediction in conjunction with efficient process migration facilities including some Cloud constructs can enable failure avoidance in large-scale high performance computing (HPC) platforms. In this work we demonstrate a prototype system that incorporates our probabilistic failure prediction system with virtualization mechanisms and techniques to provide a whole system approach to failure avoidance. This work utilizes a failure scenario based on a real-world HPC case study.

Statistical analysis is typically used to reduce the dimensionality of and infer meaning from data. A key challenge of any statistical analysis package aimed at large-scale, distributed data is to address the orthogonal issues of parallel scalability and numerical stability. Many statistical techniques, e.g., descriptive statistics or principal component analysis, are based on moments and co-moments and, using robust online update formulas, can be computed in an embarrassingly parallel manner, amenable to a map-reduce style implementation. In this paper we focus on contingency tables, through which numerous derived statistics such as joint and marginal probability, point-wise mutual information, information entropy, and X2independence statistics can be directly obtained. However, contingency tables can become large as data size increases, requiring a correspondingly large amount of communication between processors. This potential increase in communication prevents optimal parallel speedup and is the main difference with moment-based statistics (which we discussed in [1]) where the amount of inter-processor communication is independent of data size. Here we present the design trade-offs which we made to implement the computation of contingency tables in parallel.We also study the parallel speedup and scalability properties of our open source implementation. In particular, we observe optimal speed-up and scalability when the contingency statistics are used in their appropriate context, namely, when the data input is not quasi-diffuse.

Statistical analysis is widely used for countless scientific applications in order to analyze and infer meaning from data. A key challenge of any statistical analysis package aimed at large-scale, distributed data is to address the orthogonal issues of parallel scalability and numerical stability. In this paper we derive a series of formulas that allow for single-pass, yet numerically robust, pairwise parallel and incremental updates of both arbitrary-order centered statistical moments and co-moments. Using these formulas, we have built an open source parallel statistics framework that performs principal component analysis (PCA) in addition to computing descriptive, correlative, and multi-correlative statistics. The results of a scalability study demonstrate numerically stable, near-optimal scalability on up to 128 processes and results are presented in which the statistical framework is used to process large-scale turbulent combustion simulation data with 1500 processes.

Using the cloud computing paradigm, a host of companies promise to make huge compute resources available to users on a pay-as-you-go basis. These resources can be configured on the fly to provide the hardware and operating system of choice to the customer on a large scale. While the current target market for these resources in the commercial space is Web development/hosting, this model has the lure of savings of ownership, operation, and maintenance costs, and thus sounds like an attractive solution for people who currently invest millions to hundreds of millions of dollars annually on high performance computing (HPC) platforms in order to support large-scale scientific simulation codes. Given the current interconnect bandwidth and topologies utilized in these commercial offerings, however, the only current viable market in HPC would be small-memory-footprint embarrassingly parallel or loosely coupled applications, which inherently require little to no inter-processor communication. While providing the appropriate resources (bandwidth, latency, memory, etc.) for the HPC community would increase the potential to enable HPC in cloud environments, this would not address the need for scalability and reliability, crucial to HPC applications. Providing for these needs is particularly difficult in commercial cloud offerings where the number of virtual resources can far outstrip the number of physical resources, the resources are shared among many users, and the resources may be heterogeneous. Advanced resource monitoring, analysis, and configuration tools can help address these issues, since they bring the ability to dynamically provide and respond to information about the platform and application state and would enable more appropriate, efficient, and flexible use of the resources key to enabling HPC. Additionally such tools could be of benefit to non-HPC cloud providers, users, and applications by providing more efficient resource utilization in general.

The current trend in high performance computing is to aggregate ever larger numbers of processing and interconnection elements in order to achieve desired levels of computational power, This, however, also comes with a decrease in the Mean Time To Interrupt because the elements comprising these systems are not becoming significantly more robust. There is substantial evidence that the Mean Time To Interrupt vs. number of processor elements involved is quite similar over a large number of platforms. In this paper we present a system that uses hardware level monitoring coupled with statistical analysis and modeling to select processing system elements based on where they lie in the statistical distribution of similar elements. These characterizations can be used by the scheduler/resource manager to deliver a close to optimal set of processing elements given the available pool and the reliability requirements of the application.

Resource utilization in High Performance Compute clusters can be improved by increased awareness of system state information. Sophisticated run-time characterization of system state in increasingly large clusters requires a scalable fault-tolerant RAS framework. In this paper we describe the architecture of OVIS-2 and how it meets these requirements. We describe some of the sophisticated statistical analysis, 3-D visualization, and use cases for these. Using this framework and associated tools allows the engineer to explore the behaviors and complex interactions of low level system elements while simultaneously giving the system administrator their desired level of detail with respect to ongoing system and component health.

Pipeline architectures provide a versatile and efficient mechanism for constructing visualizations, and they have been implemented in numerous libraries and applications over the past two decades. In addition to allowing developers and users to freely combine algorithms, visualization pipelines have proven to work well when streaming data and scale well on parallel distributed-memory computers. However, current pipeline visualization frameworks have a critical flaw: they are unable to manage time varying data. As data flows through the pipeline, each algorithm has access to only a single snapshot in time of the data. This prevents the implementation of algorithms that do any temporal processing such as particle tracing; plotting over time; or interpolation, fitting, or smoothing of time series data. As data acquisition technology improves, as simulation time-integration techniques become more complex, and as simulations save less frequently and regularly, the ability to analyze the time-behavior of data becomes more important. This paper describes a modification to the traditional pipeline architecture that allows it to accommodate temporal algorithms. Furthermore, the architecture allows temporal algorithms to be used in conjunction with algorithms expecting a single time snapshot, thus simplifying software design and allowing adoption into existing pipeline frameworks. Our architecture also continues to work well in parallel distributed-memory environments. We demonstrate our architecture by modifying the popular VTK framework and exposing the functionality to the ParaView application. We use this framework to apply time-dependent algorithms on large data with a parallel cluster computer and thereby exercise a functionality that previously did not exist.

The finite element method is an important, widely used numerical technique for solving partial differential equations. This technique utilizes basis functions for approximating the geometry and the variation of the solution field over finite regions, or elements, of the domain. These basis functions are generally formed by combinations of polynomials. In the past, the polynomial order of the basis has been low-typically of linear and quadratic order. However, in recent years so-called p and hp methods have been developed, which may elevate the order of the basis to arbitrary levels with the aim of accelerating the convergence of the numerical solution. The increasing complexity of numerical basis functions poses a significant challenge to visualization systems. In the past, such systems have been loosely coupled to simulation packages, exchanging data via file transfer, and internally reimplementing the basis functions in order to perform interpolation and implement visualization algorithms. However, as the basis functions become more complex and, in some cases, proprietary in nature, it becomes increasingly difficult if not impossible to reimplement them within the visualization system. Further, most visualization systems typically process linear primitives, in part to take advantage of graphics hardware and, in part, due to the inherent simplicity of the resulting algorithms. Thus, visualization of higher-order finite elements requires tessellating the basis to produce data compatible with existing visualization systems. In this paper, we describe adaptive methods that automatically tessellate complex finite element basis functions using a flexible and extensible software framework. These methods employ a recursive, edge-based subdivision algorithm driven by a set of error metrics including geometric error, solution error, and error in image space. Further, we describe advanced pretessellation techniques that guarantees capture of the critical points of the polynomial basis. The framework has been designed using the adaptor design pattern, meaning that the visualization system need not reimplement basis functions, rather it communicates with the simulation package via simple programmatic queries. We demonstrate our method on several examples, and have implemented the framework in the open-source visualization system VTK.

Techniques in numerical simulation such as the finite element method depend on basis functions for approximating the geometry and variation of the solution over discrete regions of a domain. Existing visualization systems can visualize these basis functions if they are linear, or for a small set of simple non-linear bases. However, newer numerical approaches often use basis functions of elevated and mixed order or complex form; hence existing visualization systems cannot directly process them. In this paper we describe an approach that supports automatic, adaptive tessellation of general basis functions using a flexible and extensible software architecture in conjunction with an on demand, edge-based recursive subdivision algorithm. The framework supports the use of functions implemented in external simulation packages, eliminating the need to reimplement the bases within the visualization system. We demonstrate our method on several examples, and have implemented the framework in the open-source visualization system VTK.