Proceedings of the 8th Python in Science conference

International audienceThe SciPy conference provides a unique opportunity to learn and affect what is happening in the realm of scientific computing with Python. Attendees have the opportunity to review the available tools and how they apply to specific problems. By providing a forum for developers to share their Python expertise with the wider commercial, academic, and research communities, this conference fosters collaboration and facilitates the sharing of software components, techniques and a vision for high level language use in scientific computing

Advancement of Computing on Large Datasets via Parallel Computing and Cyberinfrastructure

Large datasets require efficient processing, storage and management to efficiently extract useful information for innovation and decision-making. This dissertation demonstrates novel approaches and algorithms using virtual memory approach, parallel computing and cyberinfrastructure. First, we introduce a tailored user-level virtual memory system for parallel algorithms that can process large raster data files in a desktop computer environment with limited memory. The application area for this portion of the study is to develop parallel terrain analysis algorithms that use multi-threading to take advantage of common multi-core processors for greater efficiency. Second, we present two novel parallel WaveCluster algorithms that perform cluster analysis by taking advantage of discrete wavelet transform to reduce large data to coarser representations so data is smaller and more easily managed than the original data in size and complexity. Finally, this dissertation demonstrates an HPC gateway service that abstracts away many details and complexities involved in the use of HPC systems including authentication, authorization, and data and job management

Facilitating High Performance Code Parallelization

With the surge of social media on one hand and the ease of obtaining information due to cheap sensing devices and open source APIs on the other hand, the amount of data that can be processed is as well vastly increasing. In addition, the world of computing has recently been witnessing a growing shift towards massively parallel distributed systems due to the increasing importance of transforming data into knowledge in today’s data-driven world. At the core of data analysis for all sorts of applications lies pattern matching. Therefore, parallelizing pattern matching algorithms should be made efficient in order to cater to this ever-increasing abundance of data. We propose a method that automatically detects a user’s single threaded function call to search for a pattern using Java’s standard regular expression library, and replaces it with our own data parallel implementation using Java bytecode injection. Our approach facilitates parallel processing on different platforms consisting of shared memory systems (using multithreading and NVIDIA GPUs) and distributed systems (using MPI and Hadoop). The major contributions of our implementation consist of reducing the execution time while at the same time being transparent to the user. In addition to that, and in the same spirit of facilitating high performance code parallelization, we present a tool that automatically generates Spark Java code from minimal user-supplied inputs. Spark has emerged as the tool of choice for efficient big data analysis. However, users still have to learn the complicated Spark API in order to write even a simple application. Our tool is easy to use, interactive and offers Spark’s native Java API performance. To the best of our knowledge and until the time of this writing, such a tool has not been yet implemented

Introducing Cloud Computing Topics in Curricula

The demand for graduates with exposure in Cloud Computing is on the rise. For many educational institutions, the challenge is to decide on how to incorporate appropriate cloud-based technologies into their curricula. In this paper, we describe our design and experiences of integrating Cloud Computing components into seven third/fourth-year undergraduate-level information system, computer science, and general science courses that are related to large-scale data processing and analysis at the University of Queensland, Australia. For each course, we aimed at finding the best-available and cost-effective cloud technologies that fit well in the existing curriculum. The cloud related technologies discussed in this paper include open-source distributed computing tools such as Hadoop, Mahout, and Hive, as well as cloud services such as Windows Azure and Amazon Elastic Computing Cloud (EC2). We anticipate that our experiences will prove useful and of interest to fellow academics wanting to introduce Cloud Computing modules to existing courses

HALO 1.0: A Hardware-agnostic Accelerator Orchestration Framework for Enabling Hardware-agnostic Programming with True Performance Portability for Heterogeneous HPC

This paper presents HALO 1.0, an open-ended extensible multi-agent software framework that implements a set of proposed hardware-agnostic accelerator orchestration (HALO) principles. HALO implements a novel compute-centric message passing interface (C^2MPI) specification for enabling the performance-portable execution of a hardware-agnostic host application across heterogeneous accelerators. The experiment results of evaluating eight widely used HPC subroutines based on Intel Xeon E5-2620 CPUs, Intel Arria 10 GX FPGAs, and NVIDIA GeForce RTX 2080 Ti GPUs show that HALO 1.0 allows for a unified control flow for host programs to run across all the computing devices with a consistently top performance portability score, which is up to five orders of magnitude higher than the OpenCL-based solution.Comment: 21 page

PyCUDA and PyOpenCL: A Scripting-Based Approach to GPU Run-Time Code Generation

High-performance computing has recently seen a surge of interest in heterogeneous systems, with an emphasis on modern Graphics Processing Units (GPUs). These devices offer tremendous potential for performance and efficiency in important large-scale applications of computational science. However, exploiting this potential can be challenging, as one must adapt to the specialized and rapidly evolving computing environment currently exhibited by GPUs. One way of addressing this challenge is to embrace better techniques and develop tools tailored to their needs. This article presents one simple technique, GPU run-time code generation (RTCG), along with PyCUDA and PyOpenCL, two open-source toolkits that support this technique. In introducing PyCUDA and PyOpenCL, this article proposes the combination of a dynamic, high-level scripting language with the massive performance of a GPU as a compelling two-tiered computing platform, potentially offering significant performance and productivity advantages over conventional single-tier, static systems. The concept of RTCG is simple and easily implemented using existing, robust infrastructure. Nonetheless it is powerful enough to support (and encourage) the creation of custom application-specific tools by its users. The premise of the paper is illustrated by a wide range of examples where the technique has been applied with considerable success.Comment: Submitted to Parallel Computing, Elsevie

Parallel Program Composition with Paragraphs in Stapl

Languages and tools currently available for the development of parallel applications are difficult to learn and use. The Standard Template Adaptive Parallel Library (STAPL) is being developed to make it easier for programmers to implement a parallel application. STAPL is a parallel programming library for C++ that adopts the generic programming philosophy of the C++ Standard Template Library. STAPL provides collections of parallel algorithms (pAlgorithms) and containers (pContainers) that allow a developer to write their application without reimplementing the algorithms and data structures commonly used in parallel computing. pViews in STAPL are abstract data types that provide generic data access operations independently of the type of pContainer used to store the data. Algorithms and applications have a formal, high level representation in STAPL. A computation in STAPL is represented as a parallel task graph, which we call a PARAGRAPH. A PARAGRAPH contains a representation of the algorithm's input data, the operations that are used to transform individual data elements, and the ordering between the application of operations that transform the same data element. Just as programs are the result of a composition of algorithms, STAPL programs are the result of a composition of PARAGRAPHs. This dissertation develops the PARAGRAPH program representation and its compositional methods. PARAGRAPHs improve the developer's difficult situation by simplifying what she must specify when writing a parallel algorithm. The performance of the PARAGRAPH is evaluated using parallel generic algorithms, benchmarks from the NAS suite, and a nuclear particle transport application that has been written using STAPL. Our experiments were performed on Cray XT4 and Cray XE6 massively parallel systems and an IBM Power5 cluster, and show that scalable performance beyond 16,000 processors is possible using the PARAGRAPH

Challenges in Learning Unified Modeling Language: From the Perspective of Diagrammatic Representation and Reasoning

Unified modeling language (UML) is widely taught in the information systems (IS) curriculum. To understand UML in IS education, this paper reports on an empirical study that taps into students’ learning of UML. The study uses a concept-mapping technique to identify the challenges in learning UML notational elements. It reveals that some technical properties of UML diagrammatic representation, coupled with students’ cognitive attributes, hinder both perceptual and conceptual processes involved in searching, recognizing, and inferring visual information, which creates learning barriers. This paper also discusses how to facilitate perceptual and conceptual processes in instruction to overcome learning challenges. The study provides valuable insights for the IS educators, the UML academic community, and practitioners