High-Throughput Computing on High-Performance Platforms: A Case Study

The computing systems used by LHC experiments has historically consisted of the federation of hundreds to thousands of distributed resources, ranging from small to mid-size resource. In spite of the impressive scale of the existing distributed computing solutions, the federation of small to mid-size resources will be insufficient to meet projected future demands. This paper is a case study of how the ATLAS experiment has embraced Titan---a DOE leadership facility in conjunction with traditional distributed high- throughput computing to reach sustained production scales of approximately 52M core-hours a years. The three main contributions of this paper are: (i) a critical evaluation of design and operational considerations to support the sustained, scalable and production usage of Titan; (ii) a preliminary characterization of a next generation executor for PanDA to support new workloads and advanced execution modes; and (iii) early lessons for how current and future experimental and observational systems can be integrated with production supercomputers and other platforms in a general and extensible manner

A Comparison of some recent Task-based Parallel Programming Models

The need for parallel programming models that are simple to use and at the same time efficient for current ant future parallel platforms has led to recent attention to task-based models such as Cilk++, Intel TBB and the task concept in OpenMP version 3.0. The choice of model and implementation can have a major impact on the final performance and in order to understand some of the trade-offs we have made a quantitative study comparing four implementations of OpenMP (gcc, Intel icc, Sun studio and the research compiler Mercurium/nanos mcc), Cilk++ and Wool, a high-performance task-based library developed at SICS. Abstract. We use microbenchmarks to characterize costs for task-creation and stealing and the Barcelona OpenMP Tasks Suite for characterizing application performance. By far Wool and Cilk++ have the lowest overhead in both spawning and stealing tasks. This is reflected in application performance when many tasks with small granularity are spawned where Cilk++ and, in particular, has the highest performance. For coarse granularity applications, the OpenMP implementations have quite similar performance as the more light-weight Cilk++ and Wool except for one application where mcc is superior thanks to a superior task scheduler. Abstract. The OpenMP implemenations are generally not yet ready for use when the task granularity becomes very small. There is no inherent reason for this, so we expect future implementations of OpenMP to focus on this issue

Device specialization in heterogeneous multi-GPU environments

In the last few years there have been many activities towards coupling CPUs and GPUs in order to get the most from CPU-GPU heterogeneous systems. One of the main problems that prevent these systems to be exploited in a device-aware manner is the CPU-GPU communication bottleneck, which often doesn\u27t allow to produce code more efficient than the GPU-only and the CPU-only counterparts. As a consequence, most of the heterogeneous scheduling systems treat CPUs and GPUs as homogeneous nodes, electing map-like data partitioning to employ both these processing resources. We propose to study how the radical change in the connection between GPU, CPU and memory characterizing the APUs (Accelerated Processing Units) affect the architecture of a compiler and if it is possible to use all these computing resources in a device-aware manner. We investigate on a methodology to analyze the devices that populate heterogeneous multi-GPU systems and to classify general purpose algorithms in order to perform near-optimal control flow and data partitioning

IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads

The drug discovery process currently employed in the pharmaceutical industry typically requires about 10 years and $2–3 billion to deliver one new drug. This is both too expensive and too slow, especially in emergencies like the COVID-19 pandemic. In silico methodologies need to be improved both to select better lead compounds, so as to improve the efficiency of later stages in the drug discovery protocol, and to identify those lead compounds more quickly. No known methodological approach can deliver this combination of higher quality and speed. Here, we describe an Integrated Modeling PipEline for COVID Cure by Assessing Better LEads (IMPECCABLE) that employs multiple methodological innovations to overcome this fundamental limitation. We also describe the computational framework that we have developed to support these innovations at scale, and characterize the performance of this framework in terms of throughput, peak performance, and scientific results. We show that individual workflow components deliver 100 × to 1000 × improvement over traditional methods, and that the integration of methods, supported by scalable infrastructure, speeds up drug discovery by orders of magnitudes. IMPECCABLE has screened ∼ 1011 ligands and has been used to discover a promising drug candidate. These capabilities have been used by the US DOE National Virtual Biotechnology Laboratory and the EU Centre of Excellence in Computational Biomedicine

Improving Knowledge Retrieval in Digital Libraries Applying Intelligent Techniques

Nowadays an enormous quantity of heterogeneous and distributed information is stored in the digital University. Exploring online collections to find knowledge relevant to a user’s interests is a challenging work. The artificial intelligence and Semantic Web provide a common framework that allows knowledge to be shared and reused in an efficient way. In this work we propose a comprehensive approach for discovering E-learning objects in large digital collections based on analysis of recorded semantic metadata in those objects and the application of expert system technologies. We have used Case Based-Reasoning methodology to develop a prototype for supporting efficient retrieval knowledge from online repositories. We suggest a conceptual architecture for a semantic search engine. OntoUS is a collaborative effort that proposes a new form of interaction between users and digital libraries, where the latter are adapted to users and their surroundings

Automated data processing architecture for the Gemini Planet Imager Exoplanet Survey

The Gemini Planet Imager Exoplanet Survey (GPIES) is a multi-year direct imaging survey of 600 stars to discover and characterize young Jovian exoplanets and their environments. We have developed an automated data architecture to process and index all data related to the survey uniformly. An automated and flexible data processing framework, which we term the Data Cruncher, combines multiple data reduction pipelines together to process all spectroscopic, polarimetric, and calibration data taken with GPIES. With no human intervention, fully reduced and calibrated data products are available less than an hour after the data are taken to expedite follow-up on potential objects of interest. The Data Cruncher can run on a supercomputer to reprocess all GPIES data in a single day as improvements are made to our data reduction pipelines. A backend MySQL database indexes all files, which are synced to the cloud, and a front-end web server allows for easy browsing of all files associated with GPIES. To help observers, quicklook displays show reduced data as they are processed in real-time, and chatbots on Slack post observing information as well as reduced data products. Together, the GPIES automated data processing architecture reduces our workload, provides real-time data reduction, optimizes our observing strategy, and maintains a homogeneously reduced dataset to study planet occurrence and instrument performance.Comment: 21 pages, 3 figures, accepted in JATI

Timely Long Tail Identification through Agent Based Monitoring and Analytics

The increasing complexity and scale of distributed systems has resulted in the manifestation of emergent behavior which substantially affects overall system performance. A significant emergent property is that of the "Long Tail", whereby a small proportion of task stragglers significantly impact job execution completion times. To mitigate such behavior, straggling tasks occurring within the system need to be accurately identified in a timely manner. However, current approaches focus on mitigation rather than identification, which typically identify stragglers too late in the execution lifecycle. This paper presents a method and tool to identify Long Tail behavior within distributed systems in a timely manner, through a combination of online and offline analytics. This is achieved through historical analysis to profile and model task execution patterns, which then inform online analytic agents that monitor task execution at runtime. Furthermore, we provide an empirical analysis of two large-scale production Cloud data enters that demonstrate the challenge of data skew within modern distributed systems, this analysis shows that approximately 5% of task stragglers caused by data skew impact 50% of the total jobs for batch processes. Our results demonstrate that our approach is capable of identifying task stragglers less than 11% into their execution lifecycle with 98% accuracy, signifying significant improvement over current state-of-the-art practice and enables far more effective mitigation strategies in large-scale distributed systems worldwide

TensorFlow Doing HPC

TensorFlow is a popular emerging open-source programming framework supporting the execution of distributed applications on heterogeneous hardware. While TensorFlow has been initially designed for developing Machine Learning (ML) applications, in fact TensorFlow aims at supporting the development of a much broader range of application kinds that are outside the ML domain and can possibly include HPC applications. However, very few experiments have been conducted to evaluate TensorFlow performance when running HPC workloads on supercomputers. This work addresses this lack by designing four traditional HPC benchmark applications: STREAM, matrix-matrix multiply, Conjugate Gradient (CG) solver and Fast Fourier Transform (FFT). We analyze their performance on two supercomputers with accelerators and evaluate the potential of TensorFlow for developing HPC applications. Our tests show that TensorFlow can fully take advantage of high performance networks and accelerators on supercomputers. Running our TensorFlow STREAM benchmark, we obtain over 50% of theoretical communication bandwidth on our testing platform. We find an approximately 2x, 1.7x and 1.8x performance improvement when increasing the number of GPUs from two to four in the matrix-matrix multiply, CG and FFT applications respectively. All our performance results demonstrate that TensorFlow has high potential of emerging also as HPC programming framework for heterogeneous supercomputers.Comment: Accepted for publication at The Ninth International Workshop on Accelerators and Hybrid Exascale Systems (AsHES'19