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

Resiliency in numerical algorithm design for extreme scale simulations

This work is based on the seminar titled ‘Resiliency in Numerical Algorithm Design for Extreme Scale Simulations’ held March 1–6, 2020, at Schloss Dagstuhl, that was attended by all the authors. Advanced supercomputing is characterized by very high computation speeds at the cost of involving an enormous amount of resources and costs. A typical large-scale computation running for 48 h on a system consuming 20 MW, as predicted for exascale systems, would consume a million kWh, corresponding to about 100k Euro in energy cost for executing 1023 floating-point operations. It is clearly unacceptable to lose the whole computation if any of the several million parallel processes fails during the execution. Moreover, if a single operation suffers from a bit-flip error, should the whole computation be declared invalid? What about the notion of reproducibility itself: should this core paradigm of science be revised and refined for results that are obtained by large-scale simulation? Naive versions of conventional resilience techniques will not scale to the exascale regime: with a main memory footprint of tens of Petabytes, synchronously writing checkpoint data all the way to background storage at frequent intervals will create intolerable overheads in runtime and energy consumption. Forecasts show that the mean time between failures could be lower than the time to recover from such a checkpoint, so that large calculations at scale might not make any progress if robust alternatives are not investigated. More advanced resilience techniques must be devised. The key may lie in exploiting both advanced system features as well as specific application knowledge. Research will face two essential questions: (1) what are the reliability requirements for a particular computation and (2) how do we best design the algorithms and software to meet these requirements? While the analysis of use cases can help understand the particular reliability requirements, the construction of remedies is currently wide open. One avenue would be to refine and improve on system- or application-level checkpointing and rollback strategies in the case an error is detected. Developers might use fault notification interfaces and flexible runtime systems to respond to node failures in an application-dependent fashion. Novel numerical algorithms or more stochastic computational approaches may be required to meet accuracy requirements in the face of undetectable soft errors. These ideas constituted an essential topic of the seminar. The goal of this Dagstuhl Seminar was to bring together a diverse group of scientists with expertise in exascale computing to discuss novel ways to make applications resilient against detected and undetected faults. In particular, participants explored the role that algorithms and applications play in the holistic approach needed to tackle this challenge. This article gathers a broad range of perspectives on the role of algorithms, applications and systems in achieving resilience for extreme scale simulations. The ultimate goal is to spark novel ideas and encourage the development of concrete solutions for achieving such resilience holistically.Peer Reviewed"Article signat per 36 autors/es: Emmanuel Agullo, Mirco Altenbernd, Hartwig Anzt, Leonardo Bautista-Gomez, Tommaso Benacchio, Luca Bonaventura, Hans-Joachim Bungartz, Sanjay Chatterjee, Florina M. Ciorba, Nathan DeBardeleben, Daniel Drzisga, Sebastian Eibl, Christian Engelmann, Wilfried N. Gansterer, Luc Giraud, Dominik G ̈oddeke, Marco Heisig, Fabienne Jezequel, Nils Kohl, Xiaoye Sherry Li, Romain Lion, Miriam Mehl, Paul Mycek, Michael Obersteiner, Enrique S. Quintana-Ortiz, Francesco Rizzi, Ulrich Rude, Martin Schulz, Fred Fung, Robert Speck, Linda Stals, Keita Teranishi, Samuel Thibault, Dominik Thonnes, Andreas Wagner and Barbara Wohlmuth"Postprint (author's final draft

Austrian High-Performance-Computing meeting (AHPC2020)

This booklet is a collection of abstracts presented at the AHPC conference

The role of concurrency in an evolutionary view of programming abstractions

In this paper we examine how concurrency has been embodied in mainstream programming languages. In particular, we rely on the evolutionary talking borrowed from biology to discuss major historical landmarks and crucial concepts that shaped the development of programming languages. We examine the general development process, occasionally deepening into some language, trying to uncover evolutionary lineages related to specific programming traits. We mainly focus on concurrency, discussing the different abstraction levels involved in present-day concurrent programming and emphasizing the fact that they correspond to different levels of explanation. We then comment on the role of theoretical research on the quest for suitable programming abstractions, recalling the importance of changing the working framework and the way of looking every so often. This paper is not meant to be a survey of modern mainstream programming languages: it would be very incomplete in that sense. It aims instead at pointing out a number of remarks and connect them under an evolutionary perspective, in order to grasp a unifying, but not simplistic, view of the programming languages development process

Review and Analysis of Failure Detection and Prevention Techniques in IT Infrastructure Monitoring

Maintaining the health of IT infrastructure components for improved reliability and availability is a research and innovation topic for many years. Identification and handling of failures are crucial and challenging due to the complexity of IT infrastructure. System logs are the primary source of information to diagnose and fix failures. In this work, we address three essential research dimensions about failures, such as the need for failure handling in IT infrastructure, understanding the contribution of system-generated log in failure detection and reactive & proactive approaches used to deal with failure situations. This study performs a comprehensive analysis of existing literature by considering three prominent aspects as log preprocessing, anomaly & failure detection, and failure prevention. With this coherent review, we (1) presume the need for IT infrastructure monitoring to avoid downtime, (2) examine the three types of approaches for anomaly and failure detection such as a rule-based, correlation method and classification, and (3) fabricate the recommendations for researchers on further research guidelines. As far as the authors\u27 knowledge, this is the first comprehensive literature review on IT infrastructure monitoring techniques. The review has been conducted with the help of meta-analysis and comparative study of machine learning and deep learning techniques. This work aims to outline significant research gaps in the area of IT infrastructure failure detection. This work will help future researchers understand the advantages and limitations of current methods and select an adequate approach to their problem

GPGPU Reliability Analysis: From Applications to Large Scale Systems

Over the past decade, GPUs have become an integral part of mainstream high-performance computing (HPC) facilities. Since applications running on HPC systems are usually long-running, any error or failure could result in significant loss in scientific productivity and system resources. Even worse, since HPC systems face severe resilience challenges as progressing towards exascale computing, it is imperative to develop a better understanding of the reliability of GPUs. This dissertation fills this gap by providing an understanding of the effects of soft errors on the entire system and on specific applications. To understand system-level reliability, a large-scale study on GPU soft errors in the field is conducted. The occurrences of GPU soft errors are linked to several temporal and spatial features, such as specific workloads, node location, temperature, and power consumption. Further, machine learning models are proposed to predict error occurrences on GPU nodes so as to proactively and dynamically turning on/off the costly error protection mechanisms based on prediction results. To understand the effects of soft errors at the application level, an effective fault-injection framework is designed aiming to understand the reliability and resilience characteristics of GPGPU applications. This framework is effective in terms of reducing the tremendous number of fault injection locations to a manageable size while still preserving remarkable accuracy. This framework is validated with both single-bit and multi-bit fault models for various GPGPU benchmarks. Lastly, taking advantage of the proposed fault-injection framework, this dissertation develops a hierarchical approach to understanding the error resilience characteristics of GPGPU applications at kernel, CTA, and warp levels. In addition, given that some corrupted application outputs due to soft errors may be acceptable, we present a use case to show how to enable low-overhead yet reliable GPU computing for GPGPU applications

Heterogeneity aware fault tolerance for extreme scale computing

Upcoming Extreme Scale, or Exascale, Computing Systems are expected to deliver a peak performance of at least 10^18 floating point operations per second (FLOPS), primarily through significant expansion in scale. A major concern for such large scale systems, however, is how to deal with failures in the system. This is because the impact of failures on system efficiency, while utilizing existing fault tolerance techniques, generally also increases with scale. Hence, current research effort in this area has been directed at optimizing various aspects of fault tolerance techniques to reduce their overhead at scale. One characteristic that has been overlooked so far, however, is heterogeneity, specifically in the rate at which individual components of the underlying system fail, and in the execution profile of a parallel application running on such a system. In this thesis, we investigate the implications of such types of heterogeneity for fault tolerance in large scale high performance computing (HPC) systems. To that end, we 1) study how knowledge of heterogeneity in system failure likelihoods can be utilized to make current fault tolerance schemes more efficient, 2) assess the feasibility of utilizing application imbalance for improved fault tolerance at scale, and 3) propose and evaluate changes to system level resource managers in order to achieve reliable job placement over resources with unequal failure likelihoods. The results in this thesis, taken together, demonstrate that heterogeneity in failure likelihoods significantly changes the landscape of fault tolerance for large scale HPC systems