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Integration and Commissioning of a Prototype Federated Cloud for Scientific Workflows

The Fermilab Grid and Cloud Computing Department and the KISTI Global Science experimental Data hub Center propose a joint project. The goals are to enable scientific workflows of stakeholders to run on multiple cloud resources by use of (a) Virtual Infrastructure Automation and Provisioning, (b) Interoperability and Federat ion of Cloud Resources , and (c) High-Throughput Fabric Virtualization. This is a matching fund project in which Fermilab and KISTI will contribute equal resources .

97 MATHEMATICS AND COMPUTING↗

A Multi-Dimensional Classification Model for Scientific Workflow Characteristics

Workflows have been used to model repeatable tasks or operations in manufacturing, business process, and software. In recent years, workflows are increasingly used for orchestration of science discovery tasks that use distributed resources and web services environments through resource models such as grid and cloud computing. Workflows have disparate re uirements and constraints that affects how they might be managed in distributed environments. In this paper, we present a multi-dimensional classification model illustrated by workflow examples obtained through a survey of scientists from different domains including bioinformatics and biomedical, weather and ocean modeling, astronomy detailing their data and computational requirements. The survey results and classification model contribute to the high level understandingof scientific workflows.

97 MATHEMATICS AND COMPUTING↗

Enabling On-Demand Scientific Workflows on a Federated Cloud

The Fermilab Grid and Cloud Computing Department and the KISTI Global Science experimental Data hub Center are working on a multi-year Collaborative Research and Development Agreement.With the knowledge developed in the first year on how to provision and manage a federation of virtual machines through Cloud management systems. In this second year, we expanded the work on provisioning and federation, increasing both scale and diversity of solutions, and we started to build on-demand services on the established fabric, introducing the paradigm of Platform as a Service to assist with the execution of scientific workflows. We have enabled scientific workflows of stakeholders to run on multiple cloud resources at the scale of 1,000 concurrent machines. The demonstrations have been in the areas of (a) Virtual Infrastructure Automation and Provisioning, (b) Interoperability and Federation of Cloud Resources, and (c) On-demand Services for ScientificWorkflows.

97 MATHEMATICS AND COMPUTING↗

Cloud Bursting with GlideinWMS: Means to satisfy ever increasing computing needs for Scientific Workflows

Scientific communities have been in the forefront of adopting new technologies and methodologies in the computing. Scientific computing has influenced how science is done today, achieving breakthroughs that were impossible to achieve several decades ago. For the past decade several such communities in the Open Science Grid (OSG) and the European Grid Infrastructure (EGI) have been using GlideinWMS to run complex application workflows to effectively share computational resources over the grid. GlideinWMS is a pilot-based workload management system (WMS) that creates on demand, a dynamically sized overlay HTCondor batch system on grid resources. At present, the computational resources shared over the grid are just adequate to sustain the computing needs. We envision that the complexity of the science driven by 'Big Data' will further push the need for computational resources. To fulfill their increasing demands and/or to run specialized workflows, some of the big communities like CMS are investigating the use of cloud computing as Infrastructure-As-A-Service (IAAS) with GlideinWMS as a potential alternative to fill the void. Similarly, communities with no previous access to computing resources can use GlideinWMS to setup up a batch system on the cloud infrastructure. To enable this, the architecture of GlideinWMS has been extended to enable support for interfacing GlideinWMS with different Scientific and commercial cloud providers like HLT, FutureGrid, FermiCloud and Amazon EC2. In this paper, we describe a solution for cloud bursting with GlideinWMS. The paper describes the approach, architectural changes and lessons learned while enabling support for cloud infrastructures in GlideinWMS.

Mhashilkar, Parag↗

Data Provenance Hybridization Supporting Extreme-Scale Scientific WorkflowApplications

As high performance computing (HPC) infrastructures continue to grow in capability and complexity, so do the applications that they serve. HPC and distributed-area computing (DAC) (e.g. grid and cloud) users are looking increasingly toward workflow solutions to orchestrate their complex application coupling, pre- and post-processing needs To gain insight and a more quantitative understanding of a workflow’s performance our method includes not only the capture of traditional provenance information, but also the capture and integration of system environment metrics helping to give context and explanation for a workflow’s execution. In this paper, we describe IPPD’s provenance management solution (ProvEn) and its hybrid data store combining both of these data provenance perspectives.

provenance↗

Utilizing Distributed Heterogeneous Computing with PanDA in ATLAS

In recent years, advanced and complex analysis workflows have gained increasing importance in the ATLAS experiment at CERN, one of the large scientific experiments at LHC. Support for such workflows has allowed users to exploit remote computing resources and service providers distributed worldwide, overcoming limitations on local resources and services. The spectrum of computing options keeps increasing across the Worldwide LHC Computing Grid (WLCG), volunteer computing, high-performance computing, commercial clouds, and emerging service levels like Platform-as-a-Service (PaaS), Container-as-a-Service (CaaS) and Function-as-a-Service (FaaS), each one providing new advantages and constraints. Users can significantly benefit from these providers, but at the same time, it is cumbersome to deal with multiple providers, even in a single analysis workflow with fine-grained requirements coming from their applications’ nature and characteristics. In this paper, we will first highlight issues in geographically-distributed heterogeneous computing, such as the insulation of users from the complexities of dealing with remote providers, smart workload routing, complex resource provisioning, seamless execution of advanced workflows, workflow description, pseudointeractive analysis, and integration of PaaS, CaaS, and FaaS providers. We will also outline solutions developed in ATLAS with the Production and Distributed Analysis (PanDA) system and future challenges for LHC Run4.

97 MATHEMATICS AND COMPUTING↗

Supercomputers, Clouds and Grids powered by BigPanDA for Brain studies

The PanDA WMS - Production and Distributed Analysis Workload Management System - has been developed and used by the ATLAS experiment at the LHC (Large Hadron Collider) for all data processing and analysis challenges. BigPanDA is an extension of the PanDA WMS to run ATLAS and non-ATLAS applications on Leadership Class Facilities and supercomputers, as well as traditional grid and cloud resources. The success of the BigPanDA project has drawn attention from other compute intensive sciences such as biology. In 2017, a pilot project was started between BigPanDA and the Blue Brain Project (BBP) of the Ecole Polytechnique Federal de Lausanne (EPFL) located in Lausanne, Switzerland. This proof of concept project is aimed at demonstrating the efficient application of the BigPanDA system to support the complex scientific workflow of the BBP, which relies on using a mix of desktop, cluster and supercomputers to reconstruct and simulate accurate models of brain tissue.

Computer Science↗

Progress on the FabrIc for Frontier Experiments project at Fermilab

The FabrIc for Frontier Experiments (FIFE) project is an ambitious, major-impact initiative within the Fermilab Scientific Computing Division designed to lead the computing model for Fermilab experiments. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying needs and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of Open Science Grid solutions for high throughput computing, data management, database access and collaboration within experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid sites along with dedicated and commercial cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including new job submission services, software and reference data distribution through CVMFS repositories, flexible data transfer client, and access to opportunistic resources on the Open Science Grid. Hence, the progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken a leading role in the definition of the computing model for Fermilab experiments, aided in the design of computing for experiments beyond Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide

97 MATHEMATICS AND COMPUTING↗

Optimization of distributed compute resources utilization in the CMS Global Pool

The CMS Submission Infrastructure is the primary system for managing computing resources for CMS workflows, including data processing, simulation, and analysis. It integrates geographically distributed resources from Grid, HPC, and cloud providers into federated pools managed by HTCondor and Glidein- WMS, for a total of around 500k CPU cores. This system dynamically manages workloads based on priorities defined by the collaboration. Additionally, CMS scheduling strategies must be flexible to handle multiple concurrent workloads while considering changing processing demands and resource availability from various providers.Efficient utilization of vast amounts of distributed compute resources is a key element for the success of the scientific programs of the LHC experiments. Optimizing the system is essential to maximize resource efficiency and fully utilize the distributed computing power. The CMS Submission Infrastructure team thus systematically investigates sources of inefficiency in workload scheduling to reduce their impact. In addition, a strategy of pilot overloading has been introduced to compensate for other inefficiency sources, thereby optimizing resource utilization and enhancing computational throughput.

Mascheroni, Marco [UC, San Diego (main)]↗

The FIFE Project at Fermilab

The FabrIc for Frontier Experiments (FIFE) project is an initiative within the Fermilab Scientific Computing Division designed to steer the computing model for non-LHC Fermilab experiments across multiple physics areas. FIFE is a collaborative effort between experimenters and computing professionals to design and develop integrated computing models for experiments of varying size, needs, and infrastructure. The major focus of the FIFE project is the development, deployment, and integration of solutions for high throughput computing, data management, database access and collaboration management within an experiment. To accomplish this goal, FIFE has developed workflows that utilize Open Science Grid compute sites along with dedicated and commercial cloud resources. The FIFE project has made significant progress integrating into experiment computing operations several services including a common job submission service, software and reference data distribution through CVMFS repositories, flexible and robust data transfer clients, and access to opportunistic resources on the Open Science Grid. The progress with current experiments and plans for expansion with additional projects will be discussed. FIFE has taken the leading role in defining the computing model for Fermilab experiments, aided in the design of experiments beyond those hosted at Fermilab, and will continue to define the future direction of high throughput computing for future physics experiments worldwide.

Box, D.↗

HEPCloud, a New Paradigm for HEP Facilities: CMS Amazon Web Services Investigation

Historically, high energy physics computing has been performed on large purpose-built computing systems. These began as single-site compute facilities, but have evolved into the distributed computing grids used today. Recently, there has been an exponential increase in the capacity and capability of commercial clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest among the cloud providers to demonstrate the capability to perform large-scale scientific computing. In this paper, we discuss results from the CMS experiment using the Fermilab HEPCloud facility, which utilized both local Fermilab resources and virtual machines in the Amazon Web Services Elastic Compute Cloud. We discuss the planning, technical challenges, and lessons learned involved in performing physics workflows on a large-scale set of virtualized resources. Additionally, we will discuss the economics and operational efficiencies when executing workflows both in the cloud and on dedicated resources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

An Adaptive Middleware Framework for Scientific Computing at Extreme Scales

Large computing systems including clusters, clouds, and grids, provide high-performance capabilities that can be utilized for many applications. But as the ubiquity of these systems increases and the scope of analysis being done on them grows, there is a growing need for applications that 1) do not require users to learn the details of high performance systems, and 2) are flexible and adaptive in their usage of these systems to accommodate the best time-to-solution for end users. We introduce a new adaptive interface design and a prototype implementation within the framework of an established middleware framework, MeDICi, for high performance computing systems and describe the applicability of this adaptive design to a real-life scientific workflow. This adaptive framework provides an access model for implementing a processing pipeline using high performance systems that are not local to the data source, making it possible for the compute capabilities at one site to be applied to analysis on data being generated at another site in an automated process. This adaptive design improves overall time-to-solution by moving the data analysis task to the most appropriate resource dynamically, reacting to failures and load fluctuations.

97 MATHEMATICS AND COMPUTING↗

LES ARM Symbiotic Simulation and Observation (LASSO) Implementation Strategy

This document illustrates the design of the Large-Eddy Simulation (LES) ARM Symbiotic Simulation and Observation (LASSO) workflow to provide a routine, high-resolution modeling capability to augment the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility’s high-density observations. LASSO will create a powerful new capability for furthering ARM’s mission to advance understanding of cloud, radiation, aerosol, and land-surface processes. The combined observational and modeling elements will enable a new level of scientific inquiry by connecting processes and context to observations and providing needed statistics for details that cannot be measured. The result will be improved process understanding that facilitates concomitant improvements in climate model parameterizations. The initial LASSO implementation will be for ARM’s Southern Great Plains site in Oklahoma and will focus on shallow convection, which is poorly simulated by climate models due in part to clouds’ typically small spatial scale compared to model grid spacing, and because the convection involves complicated interactions of microphysical and boundary layer processes.

Gustafson Jr., WI↗

Accelerating Science Impact through Big Data Workflow Management and Supercomputing

The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. ATLAS, one of the largest collaborations ever assembled in the the history of science, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. To manage the workflow for all data processing on hundreds of data centers the PanDA (Production and Distributed Analysis)Workload Management System is used. An ambitious program to expand PanDA to all available computing resources, including opportunistic use of commercial and academic clouds and Leadership Computing Facilities (LCF), is realizing within BigPanDA and megaPanDA projects. These projects are now exploring how PanDA might be used for managing computing jobs that run on supercomputers including OLCF’s Titan and NRC-KI HPC2. The main idea is to reuse, as much as possible, existing components of the PanDA system that are already deployed on the LHC Grid for analysis of physics data. The next generation of PanDA will allow many data-intensive sciences employing a variety of computing platforms to benefit from ATLAS experience and proven tools in highly scalable processing.

97 MATHEMATICS AND COMPUTING↗

Experience in using commercial clouds in CMS

Historically high energy physics computing has been performed on large purpose-built computing systems. In the beginning there were single site computing facilities, which evolved into the Worldwide LHC Computing Grid (WLCG) used today. The vast majority of the WLCG resources are used for LHC computing and the resources are scheduled to be continuously used throughout the year. In the last several years there has been an explosion in capacity and capability of commercial and academic computing clouds. Cloud resources are highly virtualized and intended to be able to be flexibly deployed for a variety of computing tasks. There is a growing interest amongst the cloud providers to demonstrate the capability to perform large scale scientific computing. In this presentation we will discuss results from the CMS experiment using the Fermilab HEPCloud Facility, which utilized both local Fermilab resources and Amazon Web Services (AWS). The goal was to work with AWS through a matching grant to demonstrate a sustained scale approximately equal to half of the worldwide processing resources available to CMS. We will discuss the planning and technical challenges involved in organizing the most IO intensive CMS workflows on a large-scale set of virtualized resource provisioned by the Fermilab HEPCloud. We will describe the data handling and data management challenges. Also, we will discuss the economic issues and cost and operational efficiency comparison to our dedicated resources. At the end we will consider the changes in the working model of HEP computing in a domain with the availability of large scale resources scheduled at peak times.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗