Towards a European Collaborative Data Infrastructure

As the science and engineering demand for high performance computing (HPC) grows beyond leading edge research institutions and communities to encompass routine activities of many disciplines, computing center infrastructures expand in their size, density and power demands. Long-practiced HPC center enhancements are increasingly demanding cooling methods that extend well beyond the capabilities of implementations that have become the staple of facility designs, even beyond those of the now-dominant architecture - commodity-processor-based, air-cooled rack clusters. As compute capacity aggressively increases in HPC centers, the power and cooling requirements, and thus cost of operation of the facilities, continues to rise correspondingly. This growth increasingly taxes the abilities of the hosting organizations to accommodate these demands. To address the challenge of meeting such pervasive demands, this paper examines energy efficiency in existing data centers from a two-pronged approach: employing direct water cooling and optimizing the facility infrastructure with as little capital investment to the building as possible.

Traditional high performance computing (HPC) centers that operate a single large supercomputer cluster have not required sophisticated mechanisms to manage and enforce network policies. Recently, HPC centers have expanded to support a wide range of computational infrastructure, such as OpenStack-based private clouds and Ceph object stores, each with its own unique characteristics and network security requirements. Network security policies are becoming more complex and harder to manage. To address the challenge, this paper explores ways to define and manage the new network policies required by emerging HPC systems. As the first step, we identify the new types of policies that are required and the technical capabilities needed to support them. We present example policies and discuss ways to implement those policies using emerging programmable networks and intent-based networks. We describe our initial work toward automatically converting human readable network policies into network configurations and programmable network controllers that implement those policies using business rule management systems.

Monitoring and assessing the energy efficiency of supercomputers and data centers is crucial in order to limit and reduce their energy consumption. Applications from the domain of High Performance Computing (HPC), such as MPI applications, account for a significant fraction of the overall energy consumed by HPC centers. Simulation is a popular approach for studying the behavior of these applications in a variety of scenarios, and it is therefore advantageous to be able to study their energy consumption in a cost-efficient, controllable, and also reproducible simulation environment. Alas, simulators supporting HPC applications commonly lack the capability of predicting the energy consumption, particularly when target platforms consist of multi-core nodes. In this work, we aim to accurately predict the energy consumption of MPI applications via simulation. Firstly, we introduce the models required for meaningful simulations: The computation model, the communication model, and the energy model of the target platform. Secondly, we demonstrate that by carefully calibrating these models on a single node, the predicted energy consumption of HPC applications at a larger scale is very close (within a few percents) to real experiments. We further show how to integrate such models into the SimGrid simulation toolkit. In order to obtain good execution time predictions on multi-core architectures, we also establish that it is vital to correctly account for memory effects in simulation. The proposed simulator is validated through an extensive set of experiments with wellknown HPC benchmarks. Lastly, we show the simulator can be used to study applications at scale, which allows researchers to save both time and resources compared to real experiments.

With the advent of myriad different technologies in the modern computing era, the future of high performance computing (HPC) data centers comprising heterogeneous compute servers and networks involves a significantly greater degree of cyber-threats than we are observing currently. As a result, conducting cybersecurity operations at the HPC data centers encompasses a highly cognitive workload environment, where information is rapidly generated, is exceedingly dynamic and is vastly unpredictable. An important challenge faced by cybersecurity specialists is managing the extreme levels of stress and utilizing emerging technologies for monitoring, assessing and defending multiple cyber-attacks in real-time. In this paper, we present an augmented reality based framework for storing, analyzing, visualizing and augmenting data at the HPC centers. This framework is proposed with the goal of improving the data presentation, forecasting, analysis and decision making, thus reducing the time to insight and learning the HPC security operations to combat increasing cyber physical threats.

Research into risky decision making (RDM) has become a multidisciplinary effort. Conversations cut across fields such as psychology, economics, insurance, and marketing. This broad interest highlights the necessity for collaborative investigation of RDM to understand and manipulate the situations within which it manifests. A holistic understanding of RDM has been impeded by the independent development of diverse RDM research methodologies across different fields. There is no software specific to RDM that combines paradigms and analytical tools based on recent developments in high-performance computing technologies. This paper presents a toolkit called RDMTk, developed specifically for the study of risky decision making. RDMTk provides a free environment that can be used to manage globally-based experiments while fostering collaborative research. The incorporation of machine learning and high-performance computing (HPC) technologies in the toolkit further open additional possibilities such as scalable algorithms and big data problems arising from global scale experiments.

Continuous integration (CI) has become a ubiquitous practice in modern software development, with major code hosting services offering free automation on popular platforms. CI offers major benefits, as it enables detecting bugs in code prior to committing changes. While high-performance computing (HPC) research relies heavily on software, HPC machines are not considered “common” platforms. This presents several challenges that hinder the adoption of CI in HPC environments, making it difficult to maintain bug-free HPC projects, and resulting in adverse effects on the research community. In this article, we explore the challenges that impede HPC CI, such as hardware diversity, security, isolation, administrative policies, and nonstandard authentication, environments, and job submission mechanisms. We propose several solutions that could enhance the quality of HPC software and the experience of developers. Implementing these solutions would require significant changes at HPC centers, but if these changes are made, it would ultimately enable faster and better science.

UK data centres are an important part of efforts to gain maximum value from research data. However, if they are to operate effectively, the services that they provide must be based upon an understanding of researchers' practices and needs. Furthermore, in order to build a case for ongoing funding, data centres must be able to demonstrate their value to researchers work and, increasingly, their contribution to wider political "impact" agendas. This paper presents the findings of a survey of users of five UK data centres. It suggests that research data centres are highly valued by their users. Benefits appear to be particularly strong around improving research efficiency, especially access to data. Data centres are less important in terms of stimulating novel research questions. Despite a few interesting cases of observable impact, in the main it remains difficult to understand the wider reach of research which draws upon data centre resources.

Policies to regulate data sharing of cohorts via data infrastructures: An interview study with funding agencies

Data infrastructures are being constructed to facilitate cohort data sharing. These infrastructures are anticipated to increase the rate of data sharing. However, the lack of data sharing has also been framed as being the consequence of the lack of reputational or financial incentives for sharing. Some initiatives try to confer value onto data sharing by making researchers' individual contributions to research visible (i.e., contributorship) or by quantifying the degree to which research data has been shared (e.g., data indicators). So far, the role of downstream evaluation and funding distribution systems for reputational incentives remains underexplored. This interview study documents the perspectives of members of funding agencies on, amongst other elements, incentives for data sharing. Funding agencies are adopting narrative CVs to encourage evaluation of diverse research outputs and display diversity in researchers' profiles. This was argued to diminish the focus on quantitative indicators of scientific productivity. Indicators related to open science dimensions may be reintroduced if they are fully developed. Shifts towards contributorship models for research outputs are seen as complementary to narrative review.

Quality of service is important feature for a High Performance Computing Center (HPC) center like Partnership for an Advanced Computing Environment (PACE) center in Georgia Institute of Technology (Georgia Tech). The user’s job fails running on a HPC center may due to a spectral of reasons, one of major contributor is the hardware and network failure. Reducing the hardware failure rate can significantly increase a data center’s quality of service as well as reducing the cost of human intervention. This is critical during PACE’s transition to a fee-based service model in which uptime correlates directly with revenue. PACE has around 9 millions jobs each year with 12% of job failure rate. In order to extend service life of hardware and reduce the potential failure and data center’s cost, we present a machine learning method to understand the center’s host usage pattern. By clustering the hosts based on multiple features, we reshuffle the host list to avoid the hosts being overused over time. We build a test framework which runs the complex combination of experiments, and presents the ad hoc comparisons. We intend to make the machine learning method in a rack aware fashion, and show the meaningful result with rack information included.

High-speed card-to-card optical interconnects are highly demanded in high-performance computing and data centers. Compared with other solutions, free-space optical interconnects have the capability of providing both reconfigurability and flexibility. In this paper we propose and experimentally demonstrate a free-space based reconfigurable optical interconnect architecture and it is capable of connecting cards located both inside the same rack as well as in different racks. Results show that 3xiO Gb/s data transmission is achieved with a worst-case receiver sensitivity better than -9.38 dBm.

Modern High Performance Computing (HPC) applications process very large amounts of data. A critical research challenge lies in transporting input data to the HPC center from a number of distributed sources, e.g., scientific experiments and web repositories, etc., and offloading the result data to geographically distributed, intermittently available end-users, often over under-provisioned connections. Such end-user data services are typically performed using point-to-point transfers that are designed for well-endowed sites and are unable to reconcile the center's resource usage and users' delivery deadlines, unable to adapt to changing dynamics in the end-to-end data path and are not fault-tolerant. To overcome these inefficiencies, decentralized HPC data services are emerging as viable alternatives. In this paper, we develop and enhance such distributed data services by designing CATCH, a Cloud-based Adaptive data Transfer service for HPC. CATCH leverages a bevy of cloud storage resources to orchestrate a decentralized data transport with fail-over capabilities. Our results demonstrate that CATCH is a feasible approach, and can help improve the data transfer times at the HPC center by as much as 81.1\% for typical HPC workloads.

Chapter 4 - Frameworks for Big Data Integration, Warehousing, and Analytics

Data center (DC) and high performance computing (HPC) applications have traditionally used a combination of copper, multimode fiber and single-mode fiber interconnects with relative percentages that depend on factors such as the line rate, reach and connectivity costs. The balance between these transmission media has increasingly shifted towards optical fiber due to the reach constraints of copper at data rates of 10 Gb/s and higher. The percentage of single-mode fiber deployed in the DC has also grown slightly since 2014, coinciding with the emergence of mega DCs with extended distance needs beyond 100 m. This trend will likely continue in the next few years as DCs expand their capacity from 100G to 400G, increase the physical size of their facilities and begin to utilize silicon-photonics transceiver technology. However there is a still a need for the low-cost and high-density connectivity, and this is sustaining the deployment of multimode fiber for links ≤ 100 m. In this paper, we discuss options for single-mode and multimode fibers in DCs and HPCs and introduce a reduced diameter multimode fiber concept which provides intra-and inter-rack connectivity as well as compatibility with silicon-photonic transceivers operating at 1310 nm. We also discuss the trade-offs between single-mode fiber attributes such as bend-insensitivity, attenuation and mode field diameter and their roles in capacity and connectivity in data centers.

Cyber Equations, Inc. is reporting on the results of its DOE SBIR Phase I project for the development of a Scalable HPC Insider Threat Monitoring System. This final report to the Department of Energy for Task DE-FOA-0001618 covers the period from 02/21/2017 to 02/20/2018 and summarizes the larger research accomplishments, which can be divided in theoretical and laboratory experiments. One of the many challenges for the U.S. Department of Energy (DOE) is the support of the high-performance computing (HPC) centers while providing quality information services, strategic vision, leadership, technical expertise, and capabilities necessary to enable the DOE to deliver effective, efficient, economical, and secure HPC services. In order to realize a secure DOE laboratory enterprise, DOE facilities operations must counter a wide range of cyber insider threats, from unsophisticated adversaries up to advanced, nation state sponsored actors. The DOE laboratories also presents an enormous insider attack surface of an ever-growing number of computers, networks, and devices all running a myriad of software. In addition, the DOE laboratories are connected to a variety of external organizations which multiplies the possibility of insider threat. During this SBIR project Cyber Equations developed a strategic combination of supervised and unsupervised machine learning techniques to control scale and classify whether entities, such as hosts, actors, or documents, are showing suspicious insider behavior. We conducted experiments using real cyber data to show that changes in observable behavior (e.g., changes in outbound traffic patterns) are indicative of attacks executing (e.g., insiders exfiltrating data, bots calling home, or an attack spreading). The features and methods we use, have been used in the anomaly detection research and development community for a significant amount of time and robust implementations are openly available. K-Means clustering, Decision Trees, and Support Vector Machine based classifiers are readily available through the R language and open source H20 machine learning framework. The Cyber Equations approach is novel in its use of these classifiers combined with Hadoop based parallel processing technology. The five stages of processing used by CyberInsider improve scalability and reduce the high number of false positives normally associated with network anomaly detection. In summary, the Cyber Equations has successfully accomplished all of its Phase I tasks and demonstrated the feasibility of the Insider Threat Monitoring System.