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

ReStore: In-Memory REplicated STORagE for Rapid Recovery in Fault-Tolerant Algorithms

Fault-tolerant distributed applications require mechanisms to recover data lost via a process failure. On modern cluster systems it is typically impractical to request replacement resources after such a failure. Therefore, applications have to continue working with the remaining resources. This requires redistributing the workload and that the non-failed processes reload data. We present an algorithmic framework and its C++ library implementation ReStore for MPI programs that enables recovery of data after process failures. By storing all required data in memory via an appropriate data distribution and replication, recovery is substantially faster than with standard checkpointing schemes that rely on a parallel file system. As the application developer can specify which data to load, we also support shrinking recovery instead of recovery using spare compute nodes. We evaluate ReStore in both controlled, isolated environments and real applications. Our experiments show loading times of lost input data in the range of milliseconds on up to 24576 processors and a substantial speedup of the recovery time for the fault-tolerant version of a widely used bioinformatics application

Framework for Supporting Genomic Operations

Next Generation Sequencing (NGS) is a family of technologies for reading the DNA or RNA, capable of producing whole genome sequences at an impressive speed, and causing a revolution of both biological research and medical practice. In this exciting scenario, while a huge number of specialized bio-informatics programs extract information from sequences, there is an increasing need for a new generation of systems and frameworks capable of integrating such information, providing holistic answers to the needs of biologists and clinicians. To respond to this need, we developed GMQL, a new query language for genomic data management that operates on heterogeneous genomic datasets. In this paper, we focus on three domain-specific operations of GMQL used for the efficient processing of operations on genomic regions, and we describe their efficient implementation; the paper develops a theory of binning strategies as a generic approach to parallel execution of genomic operations, and then describes how binning is embedded into two efficient implementations of the operations using Flink and Spark, two emerging frameworks for data management on the cloud

Persistent Kernels for Iterative Memory-bound GPU Applications

Iterative memory-bound solvers commonly occur in HPC codes. Typical GPU implementations have a loop on the host side that invokes the GPU kernel as much as time/algorithm steps there are. The termination of each kernel implicitly acts as the barrier required after advancing the solution every time step. We propose a scheme for running memory-bound iterative GPU kernels: PERsistent KernelS (PERKS). In this scheme the time loop is moved inside a persistent kernel, and device-wide barriers are used for synchronization. We then reduce the traffic to device memory by caching a subset of the output in each time step in registers and shared memory to be used as input for the following time step. PERKS can be generalized to any iterative solver: they are largely independent of the solver's implementation. We explain the design principle of PERKS and demonstrate the effectiveness of PERKS for a wide range of iterative 2D/3D stencil benchmarks (geometric mean speedup of $2.29$x in small domains and $1.53$x in large domains), and a Krylov subspace solver (geometric mean speedup of $4.67$x in smaller SpMV datasets from SuiteSparse and $1.39$x in larger SpMV datasets, for conjugate gradient)

Optimizing the Performance of Parallel and Concurrent Applications Based on Asynchronous Many-Task Runtimes

Nowadays, High-performance Computing (HPC) scientific applications often face per- formance challenges when running on heterogeneous supercomputers, so do scalability, portability, and efficiency issues. For years, supercomputer architectures have been rapidly changing and becoming more complex, and this challenge will become even more com- plicated as we enter the exascale era, where computers will exceed one quintillion cal- culations per second. Software adaption and optimization are needed to address these challenges. Asynchronous many-task (AMT) systems show promise against the exascale challenge as they combine advantages of multi-core architectures with light-weight threads, asynchronous executions, smart scheduling, and portability across diverse architectures. In this research, we optimize the performance of a highly scalable scientific application using HPX, an AMT runtime system, and address its performance bottlenecks on super- computers. We use DCA++ (Dynamical Cluster Approximation) as a research vehicle for studying the performance bottlenecks in parallel and concurrent applications. DCA++ is a high-performance research software application that provides a modern C++ imple- mentation to solve quantum many-body problems with a Quantum Monte Carlo (QMC) kernel. QMC solver applications are widely used and are mission-critical across the US Department of Energy’s (DOE’s) application landscape. Throughout the research, we implement several optimization techniques. Firstly, we add HPX threading backend support to DCA++ and achieve significant performance speedup. Secondly, we solve a memory-bound challenge in DCA++ and develop ring- based communication algorithms using GPU RDMA technology that allow much larger scientific simulation cases. Thirdly, we explore a methodology for using LLVM-based tools to tune the DCA++ that targets the new ARM A64Fx processor. We profile all imple- mentations in-depth and observe significant performance improvement throughout all the implementations

Enabling Scalability: Graph Hierarchies and Fault Tolerance

In this dissertation, we explore approaches to two techniques for building scalable algorithms. First, we look at different graph problems. We show how to exploit the input graph\u27s inherent hierarchy for scalable graph algorithms. The second technique takes a step back from concrete algorithmic problems. Here, we consider the case of node failures in large distributed systems and present techniques to quickly recover from these. In the first part of the dissertation, we investigate how hierarchies in graphs can be used to scale algorithms to large inputs. We develop algorithms for three graph problems based on two approaches to build hierarchies. The first approach reduces instance sizes for NP-hard problems by applying so-called reduction rules. These rules can be applied in polynomial time. They either find parts of the input that can be solved in polynomial time, or they identify structures that can be contracted (reduced) into smaller structures without loss of information for the specific problem. After solving the reduced instance using an exponential-time algorithm, these previously contracted structures can be uncontracted to obtain an exact solution for the original input. In addition to a simple preprocessing procedure, reduction rules can also be used in branch-and-reduce algorithms where they are successively applied after each branching step to build a hierarchy of problem kernels of increasing computational hardness. We develop reduction-based algorithms for the classical NP-hard problems Maximum Independent Set and Maximum Cut. The second approach is used for route planning in road networks where we build a hierarchy of road segments based on their importance for long distance shortest paths. By only considering important road segments when we are far away from the source and destination, we can substantially speed up shortest path queries. In the second part of this dissertation, we take a step back from concrete graph problems and look at more general problems in high performance computing (HPC). Here, due to the ever increasing size and complexity of HPC clusters, we expect hardware and software failures to become more common in massively parallel computations. We present two techniques for applications to recover from failures and resume computation. Both techniques are based on in-memory storage of redundant information and a data distribution that enables fast recovery. The first technique can be used for general purpose distributed processing frameworks: We identify data that is redundantly available on multiple machines and only introduce additional work for the remaining data that is only available on one machine. The second technique is a checkpointing library engineered for fast recovery using a data distribution method that achieves balanced communication loads. Both our techniques have in common that they work in settings where computation after a failure is continued with less machines than before. This is in contrast to many previous approaches that---in particular for checkpointing---focus on systems that keep spare resources available to replace failed machines. Overall, we present different techniques that enable scalable algorithms. While some of these techniques are specific to graph problems, we also present tools for fault tolerant algorithms and applications in a distributed setting. To show that those can be helpful in many different domains, we evaluate them for graph problems and other applications like phylogenetic tree inference

Weiterentwicklung analytischer Datenbanksysteme

This thesis contributes to the state of the art in analytical database systems. First, we identify and explore extensions to better support analytics on event streams. Second, we propose a novel polygon index to enable efficient geospatial data processing in main memory. Third, we contribute a new deep learning approach to cardinality estimation, which is the core problem in cost-based query optimization.Diese Arbeit trägt zum aktuellen Forschungsstand von analytischen Datenbanksystemen bei. Wir identifizieren und explorieren Erweiterungen um Analysen auf Eventströmen besser zu unterstützen. Wir stellen eine neue Indexstruktur für Polygone vor, die eine effiziente Verarbeitung von Geodaten im Hauptspeicher ermöglicht. Zudem präsentieren wir einen neuen Ansatz für Kardinalitätsschätzungen mittels maschinellen Lernens

Design and Evaluation of Low-Latency Communication Middleware on High Performance Computing Systems

[Resumen]El interés en Java para computación paralela está motivado por sus interesantes características, tales como su soporte multithread, portabilidad, facilidad de aprendizaje,alta productividad y el aumento significativo en su rendimiento omputacional. No obstante, las aplicaciones paralelas en Java carecen generalmente de mecanismos de comunicación eficientes, los cuales utilizan a menudo protocolos basados en sockets incapaces de obtener el máximo provecho de las redes de baja latencia, obstaculizando la adopción de Java en computación de altas prestaciones (High Per- formance Computing, HPC). Esta Tesis Doctoral presenta el diseño, implementación y evaluación de soluciones de comunicación en Java que superan esta limitación. En consecuencia, se desarrollaron múltiples dispositivos de comunicación a bajo nivel para paso de mensajes en Java (Message-Passing in Java, MPJ) que aprovechan al máximo el hardware de red subyacente mediante operaciones de acceso directo a memoria remota que proporcionan comunicaciones de baja latencia. También se incluye una biblioteca de paso de mensajes en Java totalmente funcional, FastMPJ, en la cual se integraron los dispositivos de comunicación. La evaluación experimental ha mostrado que las primitivas de comunicación de FastMPJ son competitivas en comparación con bibliotecas nativas, aumentando significativamente la escalabilidad de aplicaciones MPJ. Por otro lado, esta Tesis analiza el potencial de la computación en la nube (cloud computing) para HPC, donde el modelo de distribución de infraestructura como servicio (Infrastructure as a Service, IaaS) emerge como una alternativa viable a los sistemas HPC tradicionales. La evaluación del rendimiento de recursos cloud específicos para HPC del proveedor líder, Amazon EC2, ha puesto de manifiesto el impacto significativo que la virtualización impone en la red, impidiendo mover las aplicaciones intensivas en comunicaciones a la nube. La clave reside en un soporte de virtualización apropiado, como el acceso directo al hardware de red, junto con las directrices para la optimización del rendimiento sugeridas en esta Tesis.[Resumo]O interese en Java para computación paralela está motivado polas súas interesantes características, tales como o seu apoio multithread, portabilidade, facilidade de aprendizaxe, alta produtividade e o aumento signi cativo no seu rendemento computacional. No entanto, as aplicacións paralelas en Java carecen xeralmente de mecanismos de comunicación e cientes, os cales adoitan usar protocolos baseados en sockets que son incapaces de obter o máximo proveito das redes de baixa latencia, obstaculizando a adopción de Java na computación de altas prestacións (High Performance Computing, HPC). Esta Tese de Doutoramento presenta o deseño, implementaci ón e avaliación de solucións de comunicación en Java que superan esta limitación. En consecuencia, desenvolvéronse múltiples dispositivos de comunicación a baixo nivel para paso de mensaxes en Java (Message-Passing in Java, MPJ) que aproveitan ao máaximo o hardware de rede subxacente mediante operacións de acceso directo a memoria remota que proporcionan comunicacións de baixa latencia. Tamén se inclúe unha biblioteca de paso de mensaxes en Java totalmente funcional, FastMPJ, na cal foron integrados os dispositivos de comunicación. A avaliación experimental amosou que as primitivas de comunicación de FastMPJ son competitivas en comparación con bibliotecas nativas, aumentando signi cativamente a escalabilidade de aplicacións MPJ. Por outra banda, esta Tese analiza o potencial da computación na nube (cloud computing) para HPC, onde o modelo de distribución de infraestrutura como servizo (Infrastructure as a Service, IaaS) xorde como unha alternativa viable aos sistemas HPC tradicionais. A ampla avaliación do rendemento de recursos cloud específi cos para HPC do proveedor líder, Amazon EC2, puxo de manifesto o impacto signi ficativo que a virtualización impón na rede, impedindo mover as aplicacións intensivas en comunicacións á nube. A clave atópase no soporte de virtualización apropiado, como o acceso directo ao hardware de rede, xunto coas directrices para a optimización do rendemento suxeridas nesta Tese.[Abstract]The use of Java for parallel computing is becoming more promising owing to its appealing features, particularly its multithreading support, portability, easy-tolearn properties, high programming productivity and the noticeable improvement in its computational performance. However, parallel Java applications generally su er from inefficient communication middleware, most of which use socket-based protocols that are unable to take full advantage of high-speed networks, hindering the adoption of Java in the High Performance Computing (HPC) area. This PhD Thesis presents the design, development and evaluation of scalable Java communication solutions that overcome these constraints. Hence, we have implemented several lowlevel message-passing devices that fully exploit the underlying network hardware while taking advantage of Remote Direct Memory Access (RDMA) operations to provide low-latency communications. Moreover, we have developed a productionquality Java message-passing middleware, FastMPJ, in which the devices have been integrated seamlessly, thus allowing the productive development of Message-Passing in Java (MPJ) applications. The performance evaluation has shown that FastMPJ communication primitives are competitive with native message-passing libraries, improving signi cantly the scalability of MPJ applications. Furthermore, this Thesis has analyzed the potential of cloud computing towards spreading the outreach of HPC, where Infrastructure as a Service (IaaS) o erings have emerged as a feasible alternative to traditional HPC systems. Several cloud resources from the leading IaaS provider, Amazon EC2, which speci cally target HPC workloads, have been thoroughly assessed. The experimental results have shown the signi cant impact that virtualized environments still have on network performance, which hampers porting communication-intensive codes to the cloud. The key is the availability of the proper virtualization support, such as the direct access to the network hardware, along with the guidelines for performance optimization suggested in this Thesis

Real-time detection of moving crowds using spatio-temporal data streams

Over the last decade we have seen a tremendous change in Location Based Services. From primitive reactive applications, explicitly invoked by users, they have evolved into modern complex proactive systems, that are able to automatically provide information based on context and user location. This was caused by the rapid development of outdoor and indoor positioning technologies. GPS modules, which are now included almost into every device, together with indoor technologies, based on WiFi fingerprinting or Bluetooth beacons, allow to determine the user location almost everywhere and at any time. This also led to an enormous growth of spatio-temporal data. Being very efficient using user-centric approach for a single target current Location Based Services remain quite primitive in the area of a multitarget knowledge extraction. This is rather surprising, taking into consideration the data availability and current processing technologies. Discovering useful information from the location of multiple objects is from one side limited by legal issues related to privacy and data ownership. From the other side, mining group location data over time is not a trivial task and require special algorithms and technologies in order to be effective. Recent development in data processing area has led to a huge shift from batch processing offline engines, like MapReduce, to real-time distributed streaming frameworks, like Apache Flink or Apache Spark, which are able to process huge amounts of data, including spatio-temporal datastreams. This thesis presents a system for detecting and analyzing crowds in a continuous spatio-temporal data stream. The aim of the system is to provide relevant knowledge in terms of proactive LBS. The motivation comes from the fact of constant spatio-temporal data growth and recent rapid technological development to process such data