A Hybrid MPI-OpenMP Strategy to Speedup the Compression of Big Next-Generation Sequencing Datasets

DNA sequencing has moved into the realm of Big Data due to the rapid development of high-throughput, low cost Next-Generation Sequencing (NGS) technologies. Sequential data compression solutions that once were sufficient to efficiently store and distribute this information are now falling behind. In this paper we introduce phyNGSC, a hybrid MPI-OpenMP strategy to speedup the compression of big NGS data by combining the features of both distributed and shared memory architectures. Our algorithm balances work-load among processes and threads, alleviates memory latency by exploiting locality, and accelerates I/O by reducing excessive read/write operations and inter-node message exchange. To make the algorithm scalable, we introduce a novel timestamp-based file structure that allows us to write the compressed data in a distributed and non-deterministic fashion while retaining the capability of reconstructing the dataset with its original order. Our experimental results show that phyNGSC achieved compression times for big NGS datasets that were 45% to 98% faster than NGS-specific sequential compressors with throughputs of up to 3GB/s. Our theoretical analysis and experimental results suggest strong scalability with some datasets yielding super-linear speedups and constant efficiency. We were able to compress 1 terabyte of data in under 8 minutes compared to more than 5 hours taken by NGS-specific compression algorithms running sequentially. Compared to other parallel solutions, phyNGSC achieved up to 6x speedups while maintaining a higher compression ratio. The code for this implementation is available at https://github.com/pcdslab/PHYNGS

Scalable Data Structure to Compress Next-Generation Sequencing Files and its Application to Compressive Genomics

It is now possible to compress and decompress large-scale Next-Generation Sequencing files taking advantage of high-performance computing techniques. To this end, we have recently introduced a scalable hybrid parallel algorithm, called phyNGSC, which allows fast compression as well as decompression of big FASTQ datasets using distributed and shared memory programming models via MPI and OpenMP. In this paper we present the design and implementation of a novel parallel data structure which lessens the dependency on decompression and facilitates the handling of DNA sequences in their compressed state using fine-grained decompression in a technique that is identified as in compresso data processing. Using our data structure compression and decompression throughputs of up to 8.71 GB/s and 10.12 GB/s were observed. Our proposed structure and methodology brings us one step closer to compressive genomics and sublinear analysis of big NGS datasets. The code for this implementation is available at https://github.com/pcdslab/PHYNGS

New technologies to bridge the gap between High Performance Computing (HPC) and Big Data

The unification of HPC and Big Data has received increasing attention in the last years. It is a common belief that exascale computing and Big Data are closely associated since HPC requires processing large-scale data from scientific instruments and simulations. But, at the same time, it was observed that tools and cultures of HPC and Big Data communities differ significantly. One of the most important issues in the path to the convergence is caused by the differences in their software stacks. This thesis will address the research challenge of bridging the gap between Big Data and HPC worlds. With this goal in mind, a set of tools and technologies will be developed and integrated into a new unified Big Data-HPC framework that will allow the execution of scientific multi-language applications on both environments using containers

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

Efficient Storage of Genomic Sequences in High Performance Computing Systems

ABSTRACT: In this dissertation, we address the challenges of genomic data storage in high performance computing systems. In particular, we focus on developing a referential compression approach for Next Generation Sequence data stored in FASTQ format files. The amount of genomic data available for researchers to process has increased exponentially, bringing enormous challenges for its efficient storage and transmission. General-purpose compressors can only offer limited performance for genomic data, thus the need for specialized compression solutions. Two trends have emerged as alternatives to harness the particular properties of genomic data: non-referential and referential compression. Non-referential compressors offer higher compression rations than general purpose compressors, but still below of what a referential compressor could theoretically achieve. However, the effectiveness of referential compression depends on selecting a good reference and on having enough computing resources available. This thesis presents one of the first referential compressors for FASTQ files. We first present a comprehensive analytical and experimental evaluation of the most relevant tools for genomic raw data compression, which led us to identify the main needs and opportunities in this field. As a consequence, we propose a novel compression workflow that aims at improving the usability of referential compressors. Subsequently, we discuss the implementation and performance evaluation for the core of the proposed workflow: a referential compressor for reads in FASTQ format that combines local read-to-reference alignments with a specialized binary-encoding strategy. The compression algorithm, named UdeACompress, achieved very competitive compression ratios when compared to the best compressors in the current state of the art, while showing reasonable execution times and memory use. In particular, UdeACompress outperformed all competitors when compressing long reads, typical of the newest sequencing technologies. Finally, we study the main aspects of the data-level parallelism in the Intel AVX-512 architecture, in order to develop a parallel version of the UdeACompress algorithms to reduce the runtime. Through the use of SIMD programming, we managed to significantly accelerate the main bottleneck found in UdeACompress, the Suffix Array Construction

Supercomputing Frontiers

This open access book constitutes the refereed proceedings of the 7th Asian Conference Supercomputing Conference, SCFA 2022, which took place in Singapore in March 2022. The 8 full papers presented in this book were carefully reviewed and selected from 21 submissions. They cover a range of topics including file systems, memory hierarchy, HPC cloud platform, container image configuration workflow, large-scale applications, and scheduling

High-Performance Modelling and Simulation for Big Data Applications

This open access book was prepared as a Final Publication of the COST Action IC1406 “High-Performance Modelling and Simulation for Big Data Applications (cHiPSet)“ project. Long considered important pillars of the scientific method, Modelling and Simulation have evolved from traditional discrete numerical methods to complex data-intensive continuous analytical optimisations. Resolution, scale, and accuracy have become essential to predict and analyse natural and complex systems in science and engineering. When their level of abstraction raises to have a better discernment of the domain at hand, their representation gets increasingly demanding for computational and data resources. On the other hand, High Performance Computing typically entails the effective use of parallel and distributed processing units coupled with efficient storage, communication and visualisation systems to underpin complex data-intensive applications in distinct scientific and technical domains. It is then arguably required to have a seamless interaction of High Performance Computing with Modelling and Simulation in order to store, compute, analyse, and visualise large data sets in science and engineering. Funded by the European Commission, cHiPSet has provided a dynamic trans-European forum for their members and distinguished guests to openly discuss novel perspectives and topics of interests for these two communities. This cHiPSet compendium presents a set of selected case studies related to healthcare, biological data, computational advertising, multimedia, finance, bioinformatics, and telecommunications

High-Performance Modelling and Simulation for Big Data Applications

This open access book was prepared as a Final Publication of the COST Action IC1406 “High-Performance Modelling and Simulation for Big Data Applications (cHiPSet)“ project. Long considered important pillars of the scientific method, Modelling and Simulation have evolved from traditional discrete numerical methods to complex data-intensive continuous analytical optimisations. Resolution, scale, and accuracy have become essential to predict and analyse natural and complex systems in science and engineering. When their level of abstraction raises to have a better discernment of the domain at hand, their representation gets increasingly demanding for computational and data resources. On the other hand, High Performance Computing typically entails the effective use of parallel and distributed processing units coupled with efficient storage, communication and visualisation systems to underpin complex data-intensive applications in distinct scientific and technical domains. It is then arguably required to have a seamless interaction of High Performance Computing with Modelling and Simulation in order to store, compute, analyse, and visualise large data sets in science and engineering. Funded by the European Commission, cHiPSet has provided a dynamic trans-European forum for their members and distinguished guests to openly discuss novel perspectives and topics of interests for these two communities. This cHiPSet compendium presents a set of selected case studies related to healthcare, biological data, computational advertising, multimedia, finance, bioinformatics, and telecommunications

Scalable system software for high performance large-scale applications

In the last decades, high-performance large-scale systems have been a fundamental tool for scientific discovery and engineering advances. The sustained growth of supercomputing performance and the concurrent reduction in cost have made this technology available for a large number of scientists and engineers working on many different problems. The design of next-generation supercomputers will include traditional HPC requirements as well as the new requirements to handle data-intensive computations. Data intensive applications will hence play an important role in a variety of fields, and are the current focus of several research trends in HPC. Due to the challenges of scalability and power efficiency, next-generation of supercomputers needs a redesign of the whole software stack. Being at the bottom of the software stack, system software is expected to change drastically to support the upcoming hardware and to meet new application requirements. This PhD thesis addresses the scalability of system software. The thesis start at the Operating System level: first studying general-purpose OS (ex. Linux) and then studying lightweight kernels (ex. CNK). Then, we focus on the runtime system: we implement a runtime system for distributed memory systems that includes many of the system services required by next-generation applications. Finally we focus on hardware features that can be exploited at user-level to improve applications performance, and potentially included into our advanced runtime system. The thesis contributions are the following: Operating System Scalability: We provide an accurate study of the scalability problems of modern Operating Systems for HPC. We design and implement a methodology whereby detailed quantitative information may be obtained for each OS noise event. We validate our approach by comparing it to other well-known standard techniques to analyze OS noise, such FTQ (Fixed Time Quantum). Evaluation of the address translation management for a lightweight kernel: we provide a performance evaluation of different TLB management approaches ¿ dynamic memory mapping, static memory mapping with replaceable TLB entries, and static memory mapping with fixed TLB entries (no TLB misses) on a IBM BlueGene/P system. Runtime System Scalability: We show that a runtime system can efficiently incorporate system services and improve scalability for a specific class of applications. We design and implement a full-featured runtime system and programming model to execute irregular appli- cations on a commodity cluster. The runtime library is called Global Memory and Threading library (GMT) and integrates a locality-aware Partitioned Global Address Space communication model with a fork/join program structure. It supports massive lightweight multi-threading, overlapping of communication and computation and small messages aggregation to tolerate network latencies. We compare GMT to other PGAS models, hand-optimized MPI code and custom architectures (Cray XMT) on a set of large scale irregular applications: breadth first search, random walk and concurrent hash map access. Our runtime system shows performance orders of magnitude higher than other solutions on commodity clusters and competitive with custom architectures. User-level Scalability Exploiting Hardware Features: We show the high complexity of low-level hardware optimizations for single applications, as a motivation to incorporate this logic into an adaptive runtime system. We evaluate the effects of controllable hardware-thread priority mechanism that controls the rate at which each hardware-thread decodes instruction on IBM POWER5 and POWER6 processors. Finally, we show how to effectively exploits cache locality and network-on-chip on the Tilera many-core architecture to improve intra-core scalability

Analysing sequencing data in Hadoop: The road to interactivity via SQL

Analysis of high volumes of data has always been performed with distributed computing on computer clusters. But due to rapidly increasing data amounts in, for example, DNA sequencing, new approaches to data analysis are needed. Warehouse-scale computing environments with up to tens of thousands of networked nodes may be necessary to solve future Big Data problems related to sequencing data analysis. And to utilize such systems effectively, specialized software is needed. Hadoop is a collection of software built specifically for Big Data processing, with a core consisting of the Hadoop MapReduce scalable distributed computing platform and the Hadoop Distributed File System, HDFS. This work explains the principles underlying Hadoop MapReduce and HDFS as well as certain prominent higher-level interfaces to them: Pig, Hive, and HBase. An overview of the current state of Hadoop usage in bioinformatics is then provided alongside brief introductions to the Hadoop-BAM and SeqPig projects of the author and his colleagues. Data analysis tasks are often performed interactively, exploring the data sets at hand in order to familiarize oneself with them in preparation for well targeted long-running computations. Hadoop MapReduce is optimized for throughput instead of latency, making it a poor fit for interactive use. This Thesis presents two high-level alternatives designed especially with interactive data analysis in mind: Shark and Impala, both of which are Hive-compatible SQL-based systems. Aside from the computational framework used, the format in which the data sets are stored can greatly affect analytical performance. Thus new file formats are being developed to better cope with the needs of modern and future Big Data sets. This work analyses the current state of the art storage formats used in the worlds of bioinformatics and Hadoop. Finally, this Thesis presents the results of experiments performed by the author with the goal of understanding how well the landscape of available frameworks and storage formats can tackle interactive sequencing data analysis tasks