Task-based Runtime Optimizations Towards High Performance Computing Applications

The last decades have witnessed a rapid improvement of computational capabilities in high-performance computing (HPC) platforms thanks to hardware technology scaling. HPC architectures benefit from mainstream advances on the hardware with many-core systems, deep hierarchical memory subsystem, non-uniform memory access, and an ever-increasing gap between computational power and memory bandwidth. This has necessitated continuous adaptations across the software stack to maintain high hardware utilization. In this HPC landscape of potentially million-way parallelism, task-based programming models associated with dynamic runtime systems are becoming more popular, which fosters developers’ productivity at extreme scale by abstracting the underlying hardware complexity. In this context, this dissertation highlights how a software bundle powered by a task-based programming model can address the heterogeneous workloads engendered by HPC applications., i.e., data redistribution, geospatial modeling and 3D unstructured mesh deformation here. Data redistribution aims to reshuffle data to optimize some objective for an algorithm, whose objective can be multi-dimensional, such as improving computational load balance or decreasing communication volume or cost, with the ultimate goal of increasing the efficiency and therefore reducing the time-to-solution for the algorithm. Geostatistical modeling, one of the prime motivating applications for exascale computing, is a technique for predicting desired quantities from geographically distributed data, based on statistical models and optimization of parameters. Meshing the deformable contour of moving 3D bodies is an expensive operation that can cause huge computational challenges in fluid-structure interaction (FSI) applications. Therefore, in this dissertation, Redistribute-PaRSEC, ExaGeoStat-PaRSEC and HiCMA-PaRSEC are proposed to efficiently tackle these HPC applications respectively at extreme scale, and they are evaluated on multiple HPC clusters, including AMD-based, Intel-based, Arm-based CPU systems and IBM-based multi-GPU system. This multidisciplinary work emphasizes the need for runtime systems to go beyond their primary responsibility of task scheduling on massively parallel hardware system for servicing the next-generation scientific applications

Computational Strategies for Scalable Genomics Analysis.

The revolution in next-generation DNA sequencing technologies is leading to explosive data growth in genomics, posing a significant challenge to the computing infrastructure and software algorithms for genomics analysis. Various big data technologies have been explored to scale up/out current bioinformatics solutions to mine the big genomics data. In this review, we survey some of these exciting developments in the applications of parallel distributed computing and special hardware to genomics. We comment on the pros and cons of each strategy in the context of ease of development, robustness, scalability, and efficiency. Although this review is written for an audience from the genomics and bioinformatics fields, it may also be informative for the audience of computer science with interests in genomics applications

Research and Education in Computational Science and Engineering

Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize systems, support decision-makers, and educate the scientific and engineering workforce. Informed by centuries of theory and experiment, CSE performs computational experiments to answer questions that neither theory nor experiment alone is equipped to answer. CSE provides scientists and engineers of all persuasions with algorithmic inventions and software systems that transcend disciplines and scales. Carried on a wave of digital technology, CSE brings the power of parallelism to bear on troves of data. Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the core of this transformation. However, a combination of disruptive developments---including the architectural complexity of extreme-scale computing, the data revolution that engulfs the planet, and the specialization required to follow the applications to new frontiers---is redefining the scope and reach of the CSE endeavor. This report describes the rapid expansion of CSE and the challenges to sustaining its bold advances. The report also presents strategies and directions for CSE research and education for the next decade.Comment: Major revision, to appear in SIAM Revie

ASCR/HEP Exascale Requirements Review Report

This draft report summarizes and details the findings, results, and recommendations derived from the ASCR/HEP Exascale Requirements Review meeting held in June, 2015. The main conclusions are as follows. 1) Larger, more capable computing and data facilities are needed to support HEP science goals in all three frontiers: Energy, Intensity, and Cosmic. The expected scale of the demand at the 2025 timescale is at least two orders of magnitude -- and in some cases greater -- than that available currently. 2) The growth rate of data produced by simulations is overwhelming the current ability, of both facilities and researchers, to store and analyze it. Additional resources and new techniques for data analysis are urgently needed. 3) Data rates and volumes from HEP experimental facilities are also straining the ability to store and analyze large and complex data volumes. Appropriately configured leadership-class facilities can play a transformational role in enabling scientific discovery from these datasets. 4) A close integration of HPC simulation and data analysis will aid greatly in interpreting results from HEP experiments. Such an integration will minimize data movement and facilitate interdependent workflows. 5) Long-range planning between HEP and ASCR will be required to meet HEP's research needs. To best use ASCR HPC resources the experimental HEP program needs a) an established long-term plan for access to ASCR computational and data resources, b) an ability to map workflows onto HPC resources, c) the ability for ASCR facilities to accommodate workflows run by collaborations that can have thousands of individual members, d) to transition codes to the next-generation HPC platforms that will be available at ASCR facilities, e) to build up and train a workforce capable of developing and using simulations and analysis to support HEP scientific research on next-generation systems.Comment: 77 pages, 13 Figures; draft report, subject to further revisio