Benchmark tests of the efficient electrostatic particle-in-cell simulation code on various high-performance computing systems

Usually, scientific applications outlive the lifespan of the High Performance Computing (HPC) systems for which they are initially developed. The innovations in the HPC systems’ hardware and parallel programming standards drive the modernization of HPC applications so that they continue being performant. While such code modernization efforts may not be challenging for HPC experts and well-funded research groups, many domain-experts and students may find it challenging to adapt their applications for the latest HPC systems due to lack of expertise, time, and funds. The challenges of such domain-experts and students can be mitigated by providing them high-level tools for code modernization and migration. A brief overview of two such high-level tools is presented in this chapter. These tools support the code modernization and migration efforts by assisting users in parallelizing their applications and porting them to HPC systems with high-bandwidth memory. The tools are named as: Interactive Parallelization Tool (IPT) and Interactive Code Adaptation Tool (ICAT). Such high-level tools not only improve the productivity of their users and the performance of the applications but they also improve the utilization of HPC resources.

In high performance computing (HPC) systems, optical network links are often utilized for the HPC networks of these systems, but they have a relatively high rate of failure compared to their electrical counterparts. Due to the high link failure rate, evaluating the impact of these failures on HPC workloads is of particular interest. We extended the Merlin network module of the Structural Simulation Toolkit (SST) in order to evaluate the impact of link failures on applications running on HPC systems which use dragonfly network topologies.We focus on dragonfly topologies as they are frequently found in HPC systems, including NERSC Cori and Edison systems.We demonstrate our changes to SST by providing a sample of performance results and routing statistics for a dragonfly network of 8,192 nodes and three HPC workloads with 1% of optical link failures. For the three motifs under consideration, we show that the impact of link failure is largely dependent on the underlying workloads running on the system.

As the size and complexity of high performance computing (HPC) systems grow in line with advancements in hardware and software technology, HPC systems increasingly suffer from performance variations due to shared resource contention as well as software- and hardware-related problems. Such performance variations can lead to failures and inefficiencies, which impact the cost and resilience of HPC systems. To minimize the impact of performance variations, one must quickly and accurately detect and diagnose the anomalies that cause the variations and take mitigating actions. However, it is difficult to identify anomalies based on the voluminous, high-dimensional, and noisy data collected by system monitoring infrastructures. This paper presents a novel machine learning based framework to automatically diagnose performance anomalies at runtime. Our framework leverages historical resource usage data to extract signatures of previously-observed anomalies. We first convert collected time series data into easy-to-compute statistical features. We then identify the features that are required to detect anomalies, and extract the signatures of these anomalies. At runtime, we use these signatures to diagnose anomalies with negligible overhead. We evaluate our framework using experiments on a real-world HPC supercomputer and demonstrate that our approach successfully identifies 98 percent of injected anomalies and consistently outperforms existing anomaly diagnosis techniques.

On high-performance computing (HPC) systems, job allocation strategies control the placement of a job among available nodes. As the placement changes a job’s communication performance, allocation can significantly affects execution times of many HPC applications. Existing allocation strategies typically make decisions based on resource limit, network topology, communication patterns, etc. However, system network performance at runtime is seldom consulted in allocation, even though it significantly affects job execution times.In this work, we demonstrate using monitoring data to improve HPC systems’ performance by proposing a NetworkData-Driven (NeDD) job allocation framework, which monitors the network performance of an HPC system at runtime and allocates resources based on both network performance and job characteristics. NeDD characterizes system network performance by collecting the network traffic statistics on each router link, and it characterizes a job’s sensitivity to network congestion by collecting Message Passing Interface (MPI) statistics. During allocation, NeDD pairs network-sensitive (network-insensitive) jobs with nodes whose parent routers have low (high) network traffic. Through experiments on a large HPC system, we demonstrate that NeDD reduces the execution time of parallel applications by 11% on average and up to 34%.

This research addresses the pressing need to optimize Python-based social science applications for high-performance computing (HPC)systems, emphasizing the combined use of task and data parallelism techniques. The paper delves into a substantial body of research,recognizing Python’s interpreted nature as a challenge for efficient social science data processing. The paper introduces a Pythonprogram that exemplifies the proposed methodology. This program uses task parallelism with multi-processing and data parallelismwith dask to optimize data processing workflows. It showcases how researchers can effectively manage large datasets and intricatecomputations on HPC systems. The research offers a comprehensive framework for optimizing Python-based social science applicationson HPC systems. It addresses the challenges of Python’s performance limitations, data-intensive processing, and memory efficiency.Incorporating insights from a rich literature survey, it equips researchers with valuable tools and strategies for enhancing the efficiencyof their social science applications in HPC environments.

Deep neural networks have recently gained tremendous interest due to their capabilities in a wide variety of application areas such as computer vision and speech recognition. Thus it is important to exploit the unprecedented power of leadership High-Performance Computing (HPC) systems for greater potential of deep learning. While much attention has been paid to leverage the latest processors and accelerators, I/O support also needs to keep up with the growth of computing power for deep neural networks. In this research, we introduce an entropy-aware I/O framework called DeepIO for large-scale deep learning on HPC systems. Its overarching goal is to coordinate the use of memory, communication, and I/O resources for efficient training of datasets. DeepIO features an I/O pipeline that utilizes several novel optimizations: RDMA (Remote Direct Memory Access)-assisted in-situ shuffling, input pipelining, and entropy-aware opportunistic ordering. In addition, we design a portable storage interface to support efficient I/O on any underlying storage system. We have implemented DeepIO as a prototype for the popular TensorFlow framework and evaluated it on a variety of different storage systems. Our evaluation shows that DeepIO delivers significantly better performance than existing memory-based storage systems.

Scientific workflows are increasingly transferring large amounts of data between high performance computing (HPC) systems. Even though these HPC systems are connected via high-speed dedicated networks and use dedicated data transfer nodes (DTNs), it is still difficult to predict the data transfer throughput because of variations in data transfer protocols, host configurations, performance of file systems, and overlapping workloads. In order to provide reliable performance prediction for better resource management and job scheduling, we need models for predicting data transfer throughput under real-world conditions. In this paper, we explore different machine learning approaches for building data-driven models to improve performance and prediction of large-scale data transfer throughput. In addition to the variables already collected by the network monitoring system, we also develop heuristics to derive additional metrics for improving the prediction accuracy. We use the prediction results to identify the importance of different network parameters in predicting the throughput for large-scale data transfers. Through extensive tests, we identify key network parameters, discover interesting variations among different HPC sites, and show that we can predict throughput with high accuracy. We also analyze our models and results to provide recommendations for improving the performance of big data transfers.

In recent years, High Performance Computing (HPC) systems have been shifting from expensive massively parallel custom architectures to clusters of commodity personal computers to take advantage of cost and performance benefits. To avoid having to restart an application in case of sudden failure, checkpointing/restart fault tolerance mechanisms are commonly implemented. One drawback to checkpointing/restart is that it creates an overhead which increases the execution time of an application. We present a theoretical analysis of our technique. The results show that the PLR checkpointing/restart can significantly improve the overall reliability of an HPC system.

Modern High Performance Computing (HPC) sys-tems are built with innovative system architectures and novel programming models to further push the speed limit of computing. The increased complexity poses challenges for performance portability and performance evaluation. The Standard Perfor-mance Evaluation Corporation (SPEC) has a long history of producing industry-standard benchmarks for modern computer systems. SPEC's newly released SPEChpc 2021 benchmark suites, developed by the High Performance Group, are a bold attempt to provide a fair and objective benchmarking tool designed for state-of-the-art HPC systems. With the support of multiple host and accelerator programming models, the suites are portable across both homogeneous and heterogeneous architectures. Different workloads are developed to fit system sizes ranging from a few compute nodes to a few hundred compute nodes. In this work we present our first experiences in performance benchmarking the new SPEChpc2021 suites and evaluate their portability and basic performance characteristics on various popular and emerging HPC architectures, including x86 CPU, NVIDIA GPU, and AMD GPU. This study provides a first-hand experience of executing the SPEChpc 2021 suites at scale on production HPC systems, discusses real-world use cases, and serves as an initial guideline for using the benchmark suites.

A vital problem of energy management in a High Performance Computing (HPC) system comprised of remote clusters and data centers is investigated. The paper presents the results of research on energy-efficient management of workload in distributed data centers and computing clusters. The optimisation scheme for allocation of clusters to batches of computing tasks is presented and discussed. The aim is to minimize the energy used by the HPC system, assuming that the required level of quality of services is guaranteed. The results of the performance evaluation of the developed decision system through simulation are presented and discussed.

In addition to the performance, power consumption has become a major concern in High Performance Computing (HPC) systems. Typically the cooling system and the IT loads are the major contributors to the power bills. Understanding the power consumption at different granular levels in the HPC system is a first step to quantify the problems in HPC system. By proper monitoring and effective utilization of the cooling system, the power requirements of the HPC facility can be effectively met. In this paper we present a system where node level power measurement and WSN based rack level temperature measurement are used to provide localized control of cold air supply. A Smart Power Monitoring and Distribution Unit (PMDU) is designed and developed, to replace the existing Power Distribution Unit (PDU) in HPC. This can measure and report the power consumption, to support power profiling of large scale HPC system. This measured data are communicated to a base station via Ethernet. This base station collects all such measurements which can be used for power profiling of IT load of the HPC system. This helps to provide better insight into the power utilization pattern. Wireless Sensor Network (WSN) is used to collect exhaust and inlet air temperature of the server nodes and this information is used for directing the cold air effectively. A vent control system is designed and fabricated for intelligently directing the air flow to the server node inlet. It takes the node power and the temperature data as its inputs. This enables supplying/ redirecting more cold air towards under-cooled nodes without creating an extra load on the cooling system, thereby bringing in effective cooling at reduced power consumption. As an added advantage this could help in hot-spots mitigation.

The I/O bottleneck issue has been acknowledged as one of main performance issues of high performance computing (HPC) systems for data-intensive scientific applications, and has attracted intensive studies in recent years. With the enlarging gap between the computing bandwidth and I/O bandwidth in projected next-generation HPC systems, this issue will become even worse. In this paper, we present a novel decoupledI/O to address the fundamental I/O bottleneck issue. The decoupled I/O is a software stack including MPI extensions, compiler improvements, and runtime library support, based one decoupled HPC system architecture. It allows users to treat the computing of data-intensive operations and the traditionalI/O operation as an ensemble and offload them into dedicateddata nodes, which are near to the data source, to reduce the overhead of data movement and improve the I/O bandwidth usage. The decoupled I/O is user-friendly and requires littlechanges in application codes. Experiments were conducted to evaluate the performance of the decoupled I/O, and the results show that it outperforms existing solutions (such as active storage I/O) and provides an attractive I/O solution for data-intensive high performance computing.

System logs provide invaluable resources for understanding system behavior and detecting anomalies on high performance computing (HPC) systems. As HPC systems continue to grow in both scale and complexity, the sheer volume of system logs and the complex interaction among system components make the traditional manual problem diagnosis and even automated line-by-line log analysis infeasible or ineffective. In this paper, we present a System Log Event Block Detection (SLEBD) framework that identifies groups of log messages that follow certain sequence but with variations, and explore these event blocks for event-based system behavior analysis and anomaly detection. Compared with the existing approaches that analyze system logs line by line, SLEBD is capable of characterizing system behavior and identifying intricate anomalies at a higher (i.e., event) level. We evaluate the performance of SLEBD by using syslogs collected from production supercomputers. Experimental results show that our framework and mechanisms can process streaming log messages, efficiently extract event blocks and effectively detect anomalies, which enables system administrators and monitoring tools to understand and process system events in real time. Additionally, we use the identified event blocks and explore deep learning algorithms to model and classify event sequences.

Supercomputers were once regarded as being of very limited use - of interest to a very few national centers and used by a small fraction of researchers at any given university. As scientific research becomes more and more dependent upon management and analysis of massive amounts of data, advances in human knowledge will become increasingly dependent upon use of high performance computers and parallel programming techniques. Indiana University has undergone a transformation over the past four years, during which the capacity, use, and number of users of High Performance Computing (HPC) systems has dramatically increased. HPC systems are widely viewed as valuable to the scholarly community of Indiana University - even by those researchers who do not use parallel programming techniques. Economies of scale and vendor partnerships have enabled Indiana University to amass significant HPC systems. Carefully implemented strategies in delivery of consulting support have expanded the use of parallel programming techniques. Such techniques are of critical value to advancement of human knowledge in many disciplines, and it is now possible for any institution of higher education to provide some sort of parallel computing resource for education and research.

Fault localization has become an increasingly challenging issue in high-performance computing (HPC) systems. Various techniques have been used for HPC systems. However, as the HPC systems scale out, resulting in the rapid deterioration of the existing techniques. In this context, we propose a message-passing based fault localization framework, namely MPFL, which provides a light-weight distributed service using tree-based fault detection (TFD) and fault analysis (TFA) algorithms. In essence, MPFL serves as a fault localization engine within message-passing libraries by enabling several system middleware such as job scheduler to provide abnormal information. We present details of the MPFL framework, including the implementation of TFD and TFA. Further, we develop the fault localization engine prototype within MVAPICH2. The experimental evaluation is performed on a typical HPC cluster with 10 computing nodes, which demonstrate the capability of MPFL and show that the MPFL service does not affect the performance of an application in practice.