Abstract We introduce a fast and invertible approximation for fusion plasma simulation data represented as 2D planar meshes with connectivities approximating magnetic field lines along the toroidal dimension in deformed 3D toroidal spaces. Scientific variables (e.g., density and temperature) in these fusion data are interpolated following a complex magnetic‐field‐line‐following scheme in the toroidal space represented by a cylindrical coordinate system. This deformation in the 3D space poses challenges for root‐finding and interpolation. To this end, we propose a novel paradigm for visualizing and analyzing such data based on a newly developed algorithm for constructing a 3D simplicial mesh within the deformed 3D space. Our algorithm generates a tetrahedral mesh that connects the 2D meshes using tetrahedra while adhering to the constraints on node connectivities imposed by the magnetic field‐line scheme. Specifically, we first divide the space into smaller partitions to reduce complexity based on the input geometries and constraints on connectivities. Then, we independently search for a feasible tetrahedralization of each partition, considering nonconvexity. We demonstrate our method with two X‐Point Gyrokinetic Code (XGC) simulation datasets on the International Thermonuclear Experimental Reactor (ITER) and Wendelstein 7‐X (W7‐X), and use an ocean simulation dataset to substantiate broader applicability of our method. An open source implementation of our algorithm is available at https://github.com/rcrcarissa/DeformedSpaceTet .

The current practice for fusion scientists running first principle simulations on high performance computing plat-forms is to either run their simulations and output their data for post-hoc analysis, or to place in situ analytics into their code. In this paper we examine a complex workflow using XGC fusions simulation run on the Oak Ridge Leadership Computing Facility's supercomputer Summit, which also involve three anal-yses as part of the results necessary for scientific discovery. We discuss the challenges faced when implementing these algorithms and present an original hybrid staging technique to help enable the physicists to make discoveries during the execution of the simulation. By creating this infrastructure, we can examine complicated physics results, which may not have been possible without the infrastructure. For example, our work enables the online visualization of turbulent homoclinic tangle around the magnetic X-point, breaking the last confinement surface. This visualization could help fusion scientists to better understand and improve the turbulence spread of plasma exhaust heat, which is crucial toward realizing plasmas beyond the currently accessible physics regimes of present-day tokamak reactors. The physics of turbulent homoclinic tangle will be reported in a future physics publication, by utilizing the original online analysis/visualization framework presented in this paper.

With the growing computational complexity of science and the complexity of new and emerging hardware, it is time to re-evaluate the traditional monolithic design of computational codes. One new paradigm is constructing larger scientific computational experiments from the coupling of multiple individual scientific applications, each targeting their own physics, characteristic lengths, and/or scales. We present a framework constructed by leveraging capabilities such as in-memory communications, workflow scheduling on HPC resources, and continuous performance monitoring. This code coupling capability is demonstrated by a fusion science scenario, where differences between the plasma at the edges and at the core of a device have different physical descriptions. This infrastructure not only enables the coupling of the physics components, but it also connects in situ or online analysis, compression, and visualization that accelerate the time between a run and the analysis of the science content. Results from runs on Titan and Cori are presented as a demonstration.

SUMMARY Exploding dataset sizes from extreme‐scale scientific simulations necessitates efficient data management and reduction schemes to mitigate I/O costs. With the discrepancy between I/O bandwidth and computational power, scientists are forced to capture data infrequently, thereby making data collection an inherently lossy process. Although data compression can be an effective solution, the random nature of real‐valued scientific datasets renders lossless compression routines ineffective. These techniques also impose significant overhead during decompression, making them unsuitable for data analysis and visualization, which require repeated data access. To address this problem, we propose an effective method for In situ Sort‐And‐B‐spline Error‐bounded Lossy Abatement (ISABELA) of scientific data that is widely regarded as effectively incompressible. With ISABELA, we apply a pre‐conditioner to seemingly random and noisy data along spatial resolution to achieve an accurate fitting model that guarantees a ⩾0.99 correlation with the original data. We further take advantage of temporal patterns in scientific data to compress data by ≈ 85%, while introducing only a negligible overhead on simulations in terms of runtime. ISABELA significantly outperforms existing lossy compression methods, such as wavelet compression, in terms of data reduction and accuracy. We extend upon our previous paper by additionally building a communication‐free, scalable parallel storage framework on top of ISABELA‐compressed data that is ideally suited for extreme‐scale analytical processing. The basis for our storage framework is an inherently local decompression method (it need not decode the entire data), which allows for random access decompression and low‐overhead task division that can be exploited over heterogeneous architectures. Furthermore, analytical operations such as correlation and query processing run quickly and accurately over data in the compressed space. Copyright © 2012 John Wiley & Sons, Ltd.

Efficient handling of large volumes of data is a necessity for exascale scientific applications and database systems. To address the growing imbalance between the amount of available storage and the amount of data being produced by high speed (FLOPS) processors on the system, data must be compressed to reduce the total amount of data placed on the file systems. General-purpose loss less compression frameworks, such as zlib and bzlib2, are commonly used on datasets requiring loss less compression. Quite often, however, many scientific data sets compress poorly, referred to as hard-to-compress datasets, due to the negative impact of highly entropic content represented within the data. An important problem in better loss less data compression is to identify the hard-to-compress information and subsequently optimize the compression techniques at the byte-level. To address this challenge, we introduce the In-Situ Orthogonal Byte Aggregate Reduction Compression (ISOBAR-compress) methodology as a preconditioner of loss less compression to identify and optimize the compression efficiency and throughput of hard-to-compress datasets.

The growing gap between the massive amounts of data generated by petascale scientific simulation codes and the capability of system hardware and software to effectively analyze this data necessitates data reduction. Yet, the increasing data complexity challenges most, if not all, of the existing data compression methods. In fact, lossless compression techniques offer no more than 10% reduction on scientific data that we have experience with, which is widely regarded as effectively incompressible. To bridge this gap, in this paper, we advocate a transformative strategy that enables fast, accurate, and multi-fold reduction of double-precision floating-point scientific data. The intuition behind our method is inspired by an effective use of preconditioners for linear algebra solvers optimized for a particular class of computational "dwarfs" (e.g., dense or sparse matrices). Focusing on a commonly used multi-resolution wavelet compression technique as the underlying "solver" for data reduction we propose the S-preconditioner, which transforms scientific data into a form with high global regularity to ensure a significant decrease in the number of wavelet coefficients stored for a segment of data. Combined with the subsequent EQ-calibrator, our resultant method (called S-Preconditioned EQ-Calibrated Wavelets (SPEQC-Wavelets)), robustly achieved a 4- to 5-fold data reduction-while guaranteeing user-defined accuracy of reconstructed data to be within 1% point-by-point relative error, lower than 0.01 Normalized RMSE, and higher than 0.99 Pearson Correlation. In this paper, we show the results we obtained by testing our method on six petascale simulation codes including fusion, combustion, climate, astrophysics, and subsurface groundwater in addition to 13 publicly available scientific datasets. We also demonstrate that application-driven data mining tasks performed on decompressed variables or their derived quantities produce results of comparable quality with the ones for the original data.

Efficient analytics of scientific data from extreme-scale simulations is quickly becoming a top-notch priority. The increasing simulation output data sizes demand for a paradigm shift in how analytics is conducted. In this paper, we argue that query-driven analytics over compressed---rather than original, full-size---data is a promising strategy in order to meet storage-and-I/O-bound application challenges. As a proof-of-principle, we propose a parallel query processing engine, called ISABELA-QA that is designed and optimized for knowledge priors driven analytical processing of spatio-temporal, multivariate scientific data that is initially compressed, in situ, by our ISABELA technology. With ISABELA-QA, the total data storage requirement is less than 23%-30% of the original data, which is upto eight-fold less than what the existing state-of-the-art data management technologies that require storing both the original data and the index could offer. Since ISABELA-QA operates on the metadata generated by our compression technology, its underlying indexing technology for efficient query processing is light-weight; it requires less than 3% of the original data, unlike existing database indexing approaches that require 30%-300% of the original data. Moreover, ISABELA-QA is specifically optimized to retrieve the actual values rather than spatial regions for the variables that satisfy user-specified range queries---a functionality that is critical for high-accuracy data analytics. To the best of our knowledge, this is the first techology that enables query-driven analytics over the compressed spatio-temporal floating-point double-or single-precision data, while offering a light-weight memory and disk storage footprint solution with parallel, scalable, multi-node, multi-core, GPU-based query processing.