The Surface Water and Ocean Topography (SWOT) mission was recommended by the 2007 National Research Council Decadal Survey to expand on previous altimetry missions like TOPEX/Poseidon. Utilizing wide-swath altimetry technology, SWOT aims to achieve complete coverage of the world’s oceans and freshwater bodies through high-resolution elevation measurements. SWOT received approval for implementation in 2016, it was ultimately launched in December 2022, and it is currently delivering preliminary data to the public. The primary instrument in SWOT is the Ka-band Radar Interferometer (KaRIn) which utilizes JPL-developed radar interferometry technology to measure ocean and surface water levels with unprecedented accuracy. This paper focuses on the challenges in designing, testing, and finally commissioning in flight a complex instrument like KaRIn. We also present preliminary flight performance and compare it with ground measurements and simulations. Our analysis indicates that KaRIn meets or exceeds all its requirements, but it has also revealed several interesting and unexpected observations, offering just a glimpse of future scientific discoveries that KaRIn will enable.

Analysis of compressible turbulent flows is essential for applications related to propulsion, energy generation, and the environment. Here, we present BLASTNet 2.0, a 2.2 TB network-of-datasets containing 744 full-domain samples from 34 high-fidelity direct numerical simulations, which addresses the current limited availability of 3D high-fidelity reacting and non-reacting compressible turbulent flow simulation data. With this data, we benchmark a total of 49 variations of five deep learning approaches for 3D super-resolution - which can be applied for improving scientific imaging, simulations, turbulence models, as well as in computer vision applications. We perform neural scaling analysis on these models to examine the performance of different machine learning (ML) approaches, including two scientific ML techniques. We demonstrate that (i) predictive performance can scale with model size and cost, (ii) architecture matters significantly, especially for smaller models, and (iii) the benefits of physics-based losses can persist with increasing model size. The outcomes of this benchmark study are anticipated to offer insights that can aid the design of 3D super-resolution models, especially for turbulence models, while this data is expected to foster ML methods for a broad range of flow physics applications. This data is publicly available with download links and browsing tools consolidated at https://blastnet.github.io.

Spatial statistical analysis of multivariate volumetric data can be challenging due to scale, complexity, and occlusion. Advances in topological segmentation, feature extraction, and statistical summarization have helped overcome the challenges. This work introduces a new spatial statistical decomposition method based on level sets, connected components, and a novel variation of the restricted centroidal Voronoi tessellation that is better suited for spatial statistical decomposition and parallel efficiency. The resulting data structures organize features into a coherent nested hierarchy to support flexible and efficient out-of-core region-of-interest extraction. Next, we provide an efficient parallel implementation. Finally, an interactive visualization system based on this approach is designed and then applied to turbulent combustion data. The combined approach enables an interactive spatial statistical analysis workflow for large-scale data with a top-down approach through multiple-levels-of-detail that links phase space statistics with spatial features.

A spaceborne P-band signals of opportunity synthetic aperture radar concept is proposed for the remote sensing of terrestrial snow. We have completed a performance analysis assuming a formation flight of 3 to 5 SmallSats on one orbit plane. The spacing between the SmallSats is chosen so that their ground tracks will be separated by 50 to 100 m to allow the use of interferometric synthetic aperture radar processing technique to obtain a spatial resolution of a few hundred meters. A point system design has been completed to determine the antenna concept and to indicate the dependence of spatial resolution and signal to noise ratio on the number of receivers. The performance for range delay determination was analyzed to assess the impact of various error sources, including instrument receiver noise and ionospheric delay. The dominant error source is the ionospheric delay, which will be corrected using the split-spectrum algorithm. Our overall error budget analysis indicates that an accuracy of about 3 cm for the snow water equivalent in dry snow and 5 cm for the snow depth of wet snow can be achieved.

We propose a new technical approach to implement untethered VR haptic devices that contain no battery, yet can render on-demand haptic feedback. The key is that via our approach, a haptic device charges itself by harvesting the user's kinetic energy (i.e., movement)—even without the user needing to realize this. This is achieved by integrating the energy-harvesting with the virtual experience, in a responsive manner. Whenever our batteryless haptic device is about to lose power, it switches to harvesting mode (by engaging its clutch to a generator) and, simultaneously, the VR headset renders an alternative version of the current experience that depicts resistive forces (e.g., rowing a boat in VR). As a result, the user feels realistic haptics that corresponds to what they should be feeling in VR, while unknowingly charging the device via their movements. Once the haptic device's supercapacitors are charged, they wake up its microcontroller to communicate with the VR headset. The VR experience can now use the recently harvested power for on-demand haptics, including vibration, electrical or mechanical force-feedback; this process can be repeated, ad infinitum. We instantiated a version of our concept by implementing an exoskeleton (with vibration, electrical & mechanical force-feedback) that harvests the user's arm movements. We validated it via a user study, in which participants, even without knowing the device was harvesting, rated its’ VR experience as more realistic & engaging than with a baseline VR setup. Finally, we believe our approach enables haptics for prolonged uses, especially useful in untethered VR setups, since devices capable of haptic feedback are traditionally only reserved for situations with ample power. Instead, with our approach, a user who engages in hours-long VR and grew accustomed to finding a battery-dead haptic device that no longer works, will simply resurrect the haptic device with their movement.

Human speech often contains ambiguity stemming from the use of demonstrative pronouns (DPs), such as “this” and “these.” While we can typically decipher which objects of interest DPs are referring to based on context, modern day voice assistants (VAs – such as Google Assistant and Siri) are yet unable to process queries containing such ambiguity. For instance, to humans, a question such as “how much is this?” can be clarified through visual reference (e.g., a buyer gestures to the seller the object they would like to purchase). To bridge this gap between human and machine cognition, we built and examined a touch + voice multimodal VA prototype that enables users to select key spatial information to embed as context and query the VA. The prototype converts results of mobile, real-time object recognition and optical character recognition models into augmented reality buttons that represent features. Users can interact with and modify the selected features through a word grid. We conducted a study to investigate: 1) how touch performs as an additional modality to resolve ambiguity in queries, 2) how users use DPs when interacting with VAs, and 3) how users perceive a VA that can understand DPs. From this procedure we found that as the query becomes more complex, users prefer the multimodal VA over the standard VA without experiencing elevated cognitive load. Additionally, even though it took some time getting used to, many participants eventually became comfortable with using DPs to interact with the multimodal VA and appreciated the improved human-likeness of human-VA conversations.

The development of usable visualization solutions is essential for ensuring both their adoption and effectiveness. User-centered design principles, which involve users throughout the entire development process, have been shown to be effective in numerous information visualization endeavors. We describe how we applied these principles in scientific visualization over a two year collaboration to develop a hybrid in situ/post hoc solution tailored towards combustion researcher needs. Furthermore, we examine the importance of user-centered design and lessons learned over the design process in an effort to aid others seeking to develop effective scientific visualization solutions.

Exascale computing promises quantities of data too large to efficiently store and transfer across networks in order to be able to analyze and visualize the results. We investigate compressed sensing (CS) as an in situ method to reduce the size of the data as it is being generated during a large-scale simulation. CS works by sampling the data on the computational cluster within an alternative function space such as wavelet bases and then reconstructing back to the original space on visualization platforms. While much work has gone into exploring CS on structured datasets, such as image data, we investigate its usefulness for point clouds such as unstructured mesh datasets often found in finite element simulations. We sample using a technique that exhibits low coherence with tree wavelets found to be suitable for point clouds. We reconstruct using the stagewise orthogonal matching pursuit algorithm that we improved to facilitate automated use in batch jobs. We analyze the achievable compression ratios and the quality and accuracy of reconstructed results at each compression ratio. In the considered case studies, we are able to achieve compression ratios up to two orders of magnitude with reasonable reconstruction accuracy and minimal visual deterioration in the data. Our results suggest that, compared to other compression techniques, CS is attractive in cases where the compression overhead has to be minimized and where the reconstruction cost is not a significant concern.

Obtaining multi-process hard failure resilience at the application level is a key challenge that must be overcome before the promise of exascale can be fully realized. Previous work has shown that online global recovery can dramatically reduce the overhead of failures when compared to the more traditional approach of terminating the job and restarting it from the last stored checkpoint. If online recovery is performed in a local manner further scalability is enabled, not only due to the intrinsic lower costs of recovering locally, but also due to derived effects when using some application types. In this paper we model one such effect, namely multiple failure masking, that manifests when running Stencil parallel computations on an environment when failures are recovered locally. First, the delay propagation shape of one or multiple failures recovered locally is modeled to enable several analyses of the probability of different levels of failure masking under certain Stencil application behaviors. Our results indicate that failure masking is an extremely desirable effect at scale which manifestation is more evident and beneficial as the machine size or the failure rate increase.

Application resilience is a key challenge that must be addressed in order to realize the exascale vision. Previous work has shown that online recovery, even when done in a global manner (i.e., involving all processes), can dramatically reduce the overhead of failures when compared to the more traditional approach of terminating the job and restarting it from the last stored checkpoint. In this paper we suggest going one step further, and explore how local recovery can be used for certain classes of applications to reduce the overheads due to failures. Specifically we study the feasibility of local recovery for stencil-based parallel applications and we show how multiple independent failures can be masked to effectively reduce the impact on the total time to solution.

As applications target extreme scales, data staging and in-situ/in-transit data processing have been proposed to address the data challenges and improve scientific discovery. However, further research is necessary in order to understand how growing data sizes from data intensive simulations coupled with the limited DRAM capacity in High End Computing systems will impact the effectiveness of this approach. In this paper, we explore how we can use deep memory levels for data staging, and develop a multi-tiered data staging method that spans bothDRAM and solid state disks (SSD). This approach allows us to support both code coupling and data management for data intensive simulation workflows. We also show how an adaptive application-aware data placement mechanism can dynamically manage and optimize data placement across the DRAM ands storage levels in this multi-tiered data staging method. We present an experimental evaluation of our approach using wolf resources: an Infiniband cluster (Sith) and a Cray XK7system (Titan), and using combustion (S3D) and fusion (XGC1) simulations.

Application resilience is a key challenge that has to be addressed to realize the exascale vision. Online recovery, even when it involves all processes, can dramatically reduce the overhead of failures as compared to the more traditional approach where the job is terminated and restarted from the last checkpoint. In this paper we explore how local recovery can be used for certain classes of applications to further reduce overheads due to resilience. Specifically we develop programming support and scalable runtime mechanisms to enable online and transparent local recovery for stencil-based parallel applications on current leadership class systems. We also show how multiple independent failures can be masked to effectively reduce the impact on the total time to solution. We integrate these mechanisms with the S3D combustion simulation, and experimentally demonstrate (using the Titan Cray-XK7 system at ORNL) the ability to tolerate high failure rates (i.e., node failures every 5 seconds) with low overhead while sustaining performance, at scales up to 262144 cores.

Data staging and in-situ/in-transit data processing are emerging as attractive approaches for supporting extreme scale scientific workflows. These approaches improve end-to-end performance by enabling runtime data sharing between coupled simulations and data analytics components of the workflow. However, the complex and dynamic data exchange patterns exhibited by the workflows coupled with the varied data access behaviors make efficient data placement within the staging area challenging. In this paper, we present an adaptive data placement approach to address these challenges. Our approach adapts data placement based on application-specific dynamic data access patterns, and applies access pattern-driven and location-aware mechanisms to reduce data access costs and to support efficient data sharing between the multiple workflow components. We experimentally demonstrate the effectiveness of our approach on Titan Cray XK7 using a real combustion-analyses workflow. The evaluation results demonstrate that our approach can effectively improve data access performance and overall efficiency of coupled scientific workflows.

Computing distance fields is fundamental to many scientific and engineering applications. Distance fields can be used to direct analysis and reduce data. In this paper, we present a highly scalable method for computing 3D distance fields on massively parallel distributed-memory machines. A new distributed spatial data structure, named parallel distance tree, is introduced to manage the level sets of data and facilitate surface tracking over time, resulting in significantly reduced computation and communication costs for calculating the distance to the surface of interest from any spatial locations. Our method supports several data types and distance metrics from real-world applications. We demonstrate its efficiency and scalability on state-of-the-art supercomputers using both large-scale volume datasets and surface models. We also demonstrate in-situ distance field computation on dynamic turbulent flame surfaces for a petascale combustion simulation. Our work greatly extends the usability of distance fields for demanding applications.

Next generation in-situ/in-transit data processing has been proposed for addressing data challenges at extreme scales. However, further research is necessary in order to understand how growing data sizes from data intensive simulations coupled with limited DRAM capacity in High End Computing clusters will impact the effectiveness of this approach. In this work, we propose using deep memory levels for data staging, utilizing a multi-tiered data staging method with both DRAM and solid state disk (SSD). This approach allows us to support both code coupling and data management for data intensive simulations in cluster environment. We also show how an application-aware data placement mechanism can dynamically manage and optimize data placement across DRAM and SSD storage levels in staging method. We present experimental results on Sith - an Infiniband cluster at Oak Ridge, and evaluate its performance using combustion (S3D) and fusion (XGC) simulations.

We describe a study that aims to understand physical activity and sedentary behavior in free-living settings. We employed a wearable camera to record 3 to 5 days of imaging data with 40 participants, resulting in over 360,000 images. These images were then fully annotated by experienced staff with a rigorous coding protocol. We designed a deep learning based classifier in which we adapted a model that was originally trained for ImageNet [1]. We then added a spatio-temporal pyramid to our deep learning based classifier. Our results show our proposed method performs better than the state-of-the-art visual classification methods on our dataset. For most of the labels our system achieves more than 90% average accuracy across different individuals for frequent labels and more than 80% average accuracy for rare labels.

Application resilience is a key challenge that must be addressed in order to realize the exascale vision. Process/node failures, an important class of failures, are typically handled today by terminating the job and restarting it from the last stored checkpoint. This approach is not expected to scale to exascale. In this paper we present Fenix, a framework for enabling recovery from process/node/blade/cabinet failures for MPI-based parallel applications in an online (i.e., Without disrupting the job) and transparent manner. Fenix provides mechanisms for transparently capturing failures, re-spawning new processes, fixing failed communicators, restoring application state, and returning execution control back to the application. To enable automatic data recovery, Fenix relies on application-driven, diskless, implicitly coordinated check pointing. Using the S3D combustion simulation running on the Titan Cray-XK7 production system at ORNL, we experimentally demonstrate Felix's ability to tolerate high failure rates (e.g., More than one per minute) with low overhead while sustaining performance.

The ever increasing amount of data generated by scientific simulations coupled with system I/O constraints are fueling a need for in-situ analysis techniques. Of particular interest are approaches that produce reduced data representations while maintaining the ability to redefine, extract, and study features in a post-process to obtain scientific insights. This paper presents two variants of in-situ feature extraction techniques using segmented merge trees, which encode a wide range of threshold based features. The first approach is a fast, low communication cost technique that generates an exact solution but has limited scalability. The second is a scalable, local approximation that nevertheless is guaranteed to correctly extract all features up to a predefined size. We demonstrate both variants using some of the largest combustion simulations available on leadership class supercomputers. Our approach allows state-of-the-art, feature-based analysis to be performed in-situ at significantly higher frequency than currently possible and with negligible impact on the overall simulation runtime.

Abstract Recently, dissipation elements have been gaining popularity as a mechanism for measurement of fundamental properties of turbulent flow, such as turbulence length scales and zonal partitioning. Dissipation elements segment a domain according to the source and destination of streamlines in the gradient flow field of a scalar function f : → ℝ. They have traditionally been computed by numerically integrating streamlines from the center of each voxel in the positive and negative gradient directions, and grouping those voxels whose streamlines terminate at the same extremal pair. We show that the same structures map well to combinatorial topology concepts developed recently in the visualization community. Namely, dissipation elements correspond to sets of cells of the Morse‐Smale complex. The topology‐based formulation enables a more exploratory analysis of the nature of dissipation elements, in particular, in understanding their stability with respect to small scale variations. We present two examples from combustion science that raise significant questions about the role of small scale perturbation and indeed the definition of dissipation elements themselves.

As scientific applications target exascale, challenges related to data and energy are becoming dominating concerns. For example, coupled simulation workflows are increasingly adopting in-situ data processing and analysis techniques to address costs and overheads due to data movement and I/O. However it is also critical to understand these overheads and associated trade-offs from an energy perspective. The goal of this paper is exploring data-related energy/performance trade-offs for end-to-end simulation workflows running at scale on current high-end computing systems. Specifically, this paper presents: (1) an analysis of the data-related behaviors of a combustion simulation workflow with an in-situ data analytics pipeline, running on the Titan system at ORNL; (2) a power model based on system power and data exchange patterns, which is empirically validated; and (3) the use of the model to characterize the energy behavior of the workflow and to explore energy/performance trade-offs on current as well as emerging systems.

Parallel I/O library performance can vary greatly in response to user-tunable parameter values such as aggregator count, file count, and aggregation strategy. Unfortunately, manual selection of these values is time consuming and dependent on characteristics of the target machine, the underlying file system, and the dataset itself. Some characteristics, such as the amount of memory per core, can also impose hard constraints on the range of viable parameter values. In this work we address these problems by using machine learning techniques to model the performance of the PIDX parallel I/O library and select appropriate tunable parameter values. We characterize both the network and I/O phases of PIDX on a Cray XE6 as well as an IBM Blue Gene/P system. We use the results of this study to develop a machine learning model for parameter space exploration and performance prediction.

Modern large-scale heterogeneous computers incorporating GPUs offer impressive processing capabilities. It is desirable to fully utilize such systems for serving multiple users concurrently to visualize large data at interactive rates. However, as the disparity between data transfer speed and compute speed continues to increase in heterogeneous systems, data locality becomes crucial for performance. We present a new job scheduling design to support multi-user exploration of large data in a heterogeneous computing environment, achieving near optimal data locality and minimizing I/O overhead. The targeted application is a parallel visualization system which allows multiple users to render large volumetric data sets in both interactive mode and batch mode. We present a cost model to assess the performance of parallel volume rendering and quantify the efficiency of job scheduling. We have tested our job scheduling scheme on two heterogeneous systems with different configurations. The largest test volume data used in our study has over two billion grid points. The timing results demonstrate that our design effectively improves data locality for complex multi-user job scheduling problems, leading to better overall performance of the service.

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.

Hierarchical, multiresolution data representations enable interactive analysis and visualization of large-scale simulations. One promising application of these techniques is to store high performance computing simulation output in a hierarchical Z (HZ) ordering that translates data from a Cartesian coordinate scheme to a one-dimensional array ordered by locality at different resolution levels. However, when the dimensions of the simulation data are not an even power of 2, parallel HZ ordering produces sparse memory and network access patterns that inhibit I/O performance. This work presents a new technique for parallel HZ ordering of simulation datasets that restructures simulation data into large (power of 2) blocks to facilitate efficient I/O aggregation. We perform both weak and strong scaling experiments using the S3D combustion application on both Cray-XE6 (65,536 cores) and IBM Blue Gene/P (131,072 cores) platforms. We demonstrate that data can be written in hierarchical, multiresolution format with performance competitive to that of native data-ordering methods.

Effective 3D streamline placement and visualization play an essential role in many science and engineering disciplines. The main challenge for effective streamline visualization lies in seed placement, i.e., where to drop seeds and how many seeds should be placed. Seeding too many or too few streamlines may not reveal flow features and patterns either because it easily leads to visual clutter in rendering or it conveys little information about the flow field. Not only does the number of streamlines placed matter, their spatial relationships also play a key role in understanding the flow field. Therefore, effective flow visualization requires the streamlines to be placed in the right place and in the right amount. This paper introduces hierarchical streamline bundles, a novel approach to simplifying and visualizing 3D flow fields defined on regular grids. By placing seeds and generating streamlines according to flow saliency, we produce a set of streamlines that captures important flow features near critical points without enforcing the dense seeding condition. We group spatially neighboring and geometrically similar streamlines to construct a hierarchy from which we extract streamline bundles at different levels of detail. Streamline bundles highlight multiscale flow features and patterns through clustered yet not cluttered display. This selective visualization strategy effectively reduces visual clutter while accentuating visual foci, and therefore is able to convey the desired insight into the flow data.

Effective analysis and visualization of time-varying multivariate data is crucial for understanding complex and dynamic variable interaction and temporal evolution. Advances made in this area are mainly on query-driven visualization and correlation exploration. Solutions and techniques that investigate the important aspect of causal relationships among variables have not been sought. In this paper, we present a new approach to analyzing and visualizing time-varying multivariate volumetric and particle data sets through the study of information flow using the information-theoretic concept of transfer entropy. We employ time plot and circular graph to show information transfer for an overview of relations among all pairs of variables. To intuitively illustrate the influence relation between a pair of variables in the visualization, we modulate the color saturation and opacity for volumetric data sets and present three different visual representations, namely, ellipse, smoke, and metaball, for particle data sets. We demonstrate this information-theoretic approach and present our findings with three time-varying multivariate data sets produced from scientific simulations.

Current simulations of turbulent flames are instrumented with particles to capture the dynamic behavior of combustion in next-generation engines. Categorizing the set of many millions of particles, each of which is featured with a history of its movement positions and changing thermo-chemical states, helps understand the turbulence mechanism. We introduce a dual-space method to analyze such data, starting by clustering the time series curves in the phase space of the data, and then visualizing the corresponding trajectories of each cluster in the physical space. To cluster time series curves, we adopt a model-based clustering technique in a two-stage scheme. In the first stage, the characteristics of shape and relative position are particularly concerned in classifying the time series curves, and in the second stage, within each group of curves, clustering is further conducted based on how the curves change over time. In our work, we perform the model-based clustering in a semi-supervised manner. Users' domain knowledge is integrated through intuitive interaction tools to steer the clustering process. Our dual-space method has been used to analyze particle data in combustion simulations and can also be applied to other scientific simulations involving particle trajectory analysis work.

The IDX data format provides efficient, cache oblivious, and progressive access to large-scale scientific datasets by storing the data in a hierarchical Z (HZ) order. Data stored in IDX format can be visualized in an interactive environment allowing for meaningful explorations with minimal resources. This technology enables real-time, interactive visualization and analysis of large datasets on a variety of systems ranging from desktops and laptop computers to portable devices such as iPhones/iPads and over the web. While the existing ViSUS API for writing IDX data is serial, there are obvious advantages of applying the IDX format to the output of large scale scientific simulations. We have therefore developed PIDX - a parallel API for writing data in an IDX format. With PIDX it is now possible to generate IDX datasets directly from large scale scientific simulations with the added advantage of real-time monitoring and visualization of the generated data. In this paper, we provide an overview of the IDX file format and how it is generated using PIDX. We then present a data model description and a novel aggregation strategy to enhance the scalability of the PIDX library. The S3D combustion application is used as an example to demonstrate the efficacy of PIDX for a real-world scientific simulation. S3D is used for fundamental studies of turbulent combustion requiring exceptionally high fidelity simulations. PIDX achieves up to 18 GiB/s I/O throughput at 8,192 processes for S3D to write data out in the IDX format. This allows for interactive analysis and visualization of S3D data, thus, enabling in situ analysis of S3D simulation.

We present a new framework for feature-based statistical analysis of large-scale scientific data and demonstrate its effectiveness by analyzing features from Direct Numerical Simulations (DNS) of turbulent combustion. Turbulent flows are ubiquitous and account for transport and mixing processes in combustion, astrophysics, fusion, and climate modeling among other disciplines. They are also characterized by coherent structure or organized motion, i.e. nonlocal entities whose geometrical features can directly impact molecular mixing and reactive processes. While traditional multi-point statistics provide correlative information, they lack nonlocal structural information, and hence, fail to provide mechanistic causality information between organized fluid motion and mixing and reactive processes. Hence, it is of great interest to capture and track flow features and their statistics together with their correlation with relevant scalar quantities, e.g. temperature or species concentrations. In our approach we encode the set of all possible flow features by pre-computing merge trees augmented with attributes, such as statistical moments of various scalar fields, e.g. temperature, as well as length-scales computed via spectral analysis. The computation is performed in an efficient streaming manner in a pre-processing step and results in a collection of meta-data that is orders of magnitude smaller than the original simulation data. This meta-data is sufficient to support a fully flexible and interactive analysis of the features, allowing for arbitrary thresholds, providing per-feature statistics, and creating various global diagnostics such as Cumulative Density Functions (CDFs), histograms, or time-series. We combine the analysis with a rendering of the features in a linked-view browser that enables scientists to interactively explore, visualize, and analyze the equivalent of one terabyte of simulation data. We highlight the utility of this new framework for combustion science; however, it is applicable to many other science domains.

Typical large-scale scientific applications periodically write checkpoint files to save the computational state throughout execution. Existing parallel file systems improve such write-only I/O patterns through the use of client-side file caching and write-behind strategies. In distributed environments where files are rarely accessed by more than one client concurrently, file caching has achieved significant success; however, in parallel applications where multiple clients manipulate a shared file, cache coherence control can serialize I/O. We have designed a thread based caching layer for the MPI I/O library, which adds a portable caching system closer to user applications so more information about the application’s I/O patterns is available for better coherence control. We demonstrate the impact of our caching solution on parallel write performance with a comprehensive evaluation that includes a set of widely used I/O benchmarks and production application I/O kernels. 1.

Combustion currently provides 85% of our nation's energy needs. Furthermore, because of the large infrastructure costs combustion will continue to be the predominant source of energy for the near and middle term. Concerns over U.S. dependence on imported oil coupled with pollution and greenhouse gas emission issues require that we develop a new generation of combustion systems that provide both high efficiency and low emissions. Terascale and petascale high-fidelity simulations of turbulent combustion flows are poised to address complex multi-physics, multi-scale interactions, such as the so-called turbulence-chemistry interactions in combustion flows. Using an approach known as direct numerical simulation, where all relevant fluids and chemical scales are numerically resolved, underlying phenomena in devices can be uniquely understood and modelled. Results from recent terascale DNS simulations of turbulent combustion will be presented to illustrate cyberinfrastructure requirements for combustion science. Significant challenges remain to extract salient information from terascale combustion data sets, and to manage data movement, storage, workflow and data sharing over the wide-area-network.

Many scientific applications generate large spatio-temporal datasets. A common way of exploring these datasets is to identify and track regions of interest. Usually these regions are defined as contiguous sets of points whose attributes satisfy some user defined conditions, e.g. high temperature regions in a combustion simulation. At each time step, the regions of interest may be identified by first searching for all points that satisfy the conditions and then grouping the points into connected regions. To speed up this process, the searching step may use a tree-based indexing scheme, such as a KD-tree or an Octree. However, these indices are efficient only if the searches are limited to one or a small number of selected attributes. Scientific datasets often contain hundreds of attributes and scientists frequently study these attributes in complex combinations, e.g. finding regions of high temperature and low pressure. Bitmap indexing is an efficient method for searching on multiple criteria simultaneously. We apply a bitmap compression scheme to reduce the size of the indices. In addition, we show that the compressed bitmaps can be used efficiently to perform the region growing and the region tracking operations. Analyses show that our approach scales well and our tests on two datasets from simulation of the autoignition process show impressive performance.