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DOE OSTI2021

Customs: Inspect and Report Python Imports (customs) v1.0.0

We have developed a simple, minimally invasive monitoring framework that enables us to capture key metrics from Python user processes. This is part of a larger effort to collect data across our entire data-intensive science workload at NERSC. The approach for Python is inspired by a similar framework developed for Blue Waters at NCSA. Both frameworks leverage standard Python features, sitecustomize and atexit, to capture Python imports of interest and other job data. The customs package decomposes the information capture into separate inspection and reporting interfaces.

Thomas, Rollin↗

DOE OSTI2014

Application-specific I/O Optimizations on Petascale Supercomputers

Data-intensive science frontiers and challenges are emerg ing as computer technology has evolved substantially. Large-scale simu lations demand significant I/O workload, and as a result the I/O performance often becomes a bottleneck preventing high performance in scientific applications. In this paper we introduce a variety of I/O optimization techniques developed and imple mented when scaling a seismic application to petascale. These techniques include file system striping, data aggreg ation, reader/writer limit ing and less interleaving of data, collective MPI-IO, and data staging. The optimizations result in nearly perfect scalability of the target applicat ion on some of the most advanced petascale systems. The techniques introduced in this paper are applicab le to other scientific applications facing similar petascale I/O challenges.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

ESnet Network Operating System (ENOS)

ENOS is a prototype next-generation ESnet architecture for handling data-intensive science workflows. The concept of a 'network operating system', a software layer that enables applications to get information about the network and to program it to meet its needs, has been around in academic papers for a while but appears to be feasible now due to the wide adoption of the Software-Defined Networking (SDN) paradigm. The SDN paradigm constitutes a network architecture that separates the control plane from the distributed data plane and provides logical centralization of the network control and state. These logical central control plane capabilities can be evolved to become the operating system through which the network policies are implemented across the entire network and applications can program network behavior.

ESnet↗

DOE OSTI2016

Kernels for scalable data analysis in science: Towards an architecture-portable future

In this paper, we pose and address some of the unique challenges in the analysis of scientific Big Data on supercomputing platforms. Our approach identifies, implements and scales numerical kernels that are critical to the instantiation of theory-inspired analytic workflows on modern computing architectures. We present the benefits of scalable kernels towards constructing algorithms such as principal component analysis and non-negative matrix factorization on an image-analysis use case at the Oak Ridge Leadership Computing Facility (OLCF). Based on experience with the use-case, we conclude that piecing scalable analytic kernels into user-defined analytic workflows are a flexible, modular and agile way to enable architecture-portable productivity for the data-intensive sciences.

Sukumar, Sreenivas R.↗

DOE OSTI2016

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↗

DOE OSTI2016

INTEGRATION OF PANDA WORKLOAD MANAGEMENT SYSTEM WITH SUPERCOMPUTERS

Abstract The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the funda- mental nature of matter and the basic forces that shape our universe, and were recently credited for the dis- covery of a Higgs boson. ATLAS, one of the largest collaborations ever assembled in the sciences, 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. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 140 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data cen- ters are physically scattered all over the world. While PanDA currently uses more than 250000 cores with a peak performance of 0.3+ petaFLOPS, next LHC data taking runs will require more resources than Grid computing can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, Europe and Russia (in particular with Titan supercomputer at Oak Ridge Leadership Com- puting Facility (OLCF), Supercomputer at the National Research Center Kurchatov Institute , IT4 in Ostrava, and others). The current approach utilizes a modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single- threaded workloads in parallel on Titan s multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms. We will present our current accom- plishments in running PanDA WMS at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facility s infrastructure for High Energy and Nuclear Physics, as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

De, K↗

DOE OSTI2015

Next Generation Workload Management System For Big Data on Heterogeneous Distributed Computing

The Large Hadron Collider (LHC), operating at the international CERN Laboratory in Geneva, Switzerland, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe, and were recently credited for the discovery of a Higgs boson. ATLAS and ALICE are the largest collaborations ever assembled in the sciences and are at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, both experiments rely on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System (WMS) for managing the workflow for all data processing on hundreds of data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. The scale is demonstrated by the following numbers: PanDA manages O(10 2 ) sites, O(10 5 ) cores, O(10 8 ) jobs per year, O(10 3 ) users, and ATLAS data volume is O(10 17 ) bytes. In 2013 we started an ambitious program to expand PanDA to all available computing resources, including opportunistic use of commercial and academic clouds and Leadership Computing Facilities (LCF). The project titled 'Next Generation Workload Management and Analysis System for Big Data' (BigPanDA) is funded by DOE ASCR and HEP. Extending PanDA to clouds and LCF presents new challenges in managing heterogeneity and supporting workflow. The BigPanDA project is underway to setup and tailor PanDA at the Oak Ridge Leadership Computing Facility (OLCF) and at the National Research Center "Kurchatov Institute" together with ALICE distributed computing and ORNL computing professionals. Our approach to integration of HPC platforms at the OLCF and elsewhere is to reuse, as much as possible, existing components of the PanDA system. Finally, we will present our current accomplishments with running the PanDA WMS at OLCF and other supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Sampling Approaches for Multi-Domain Internet Performance Measurement Infrastructures

The next-generation of high-performance networks being developed in DOE communities are critical for supporting current and emerging data-intensive science applications. The goal of this project is to investigate multi-domain network status sampling techniques and tools to measure/analyze performance, and thereby provide “network awareness” to end-users and network operators in DOE communities. We leverage the infrastructure and datasets available through perfSONAR, which is a multi-domain measurement framework that has been widely deployed in high-performance computing and networking communities; the DOE community is a core developer and the largest adopter of perfSONAR. Our investigations include development of semantic scheduling algorithms, measurement federation policies, and tools to sample multi-domain and multi-layer network status within perfSONAR deployments. We validate our algorithms and policies with end-to-end measurement analysis tools for various monitoring objectives such as network weather forecasting, anomaly detection, and fault-diagnosis. In addition, we develop a multi-domain architecture for an enterprise-specific perfSONAR deployment that can implement monitoring-objective based sampling and that adheres to any domain-specific measurement policies.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Bridging the Gap between Scientific Data Producers and Consumers: A Provenance Approach

Despite the methodical and painstaking efforts made by scientists to record their scientific findings and protocols, a knowledge gap problem continues to persist today between producers of scientific results and consumers because technology is performing the exchange of data as opposed to scientists making direct contact. Provenance is a means to formalize how this knowledge is transferred. However, for it to be meaningful to scientists, the provenance research community needs continued contributions from the scientific community to extend and leverage provenance-based vocabularies and technology from the provenance community. Going forward the provenance community must also be vigilant to meet scalability needs of data intensive science

Stephan, Eric G.↗

DOE OSTI2014

Orchestrating Distributed Resource Ensembles for Petascale Science

Distributed, data-intensive computational science applications of interest to DOE scientific com- munities move large amounts of data for experiment data management, distributed analysis steps, remote visualization, and accessing scientific instruments. These applications need to orchestrate ensembles of resources from multiple resource pools and interconnect them with high-capacity multi- layered networks across multiple domains. It is highly desirable that mechanisms are designed that provide this type of resource provisioning capability to a broad class of applications. It is also important to have coherent monitoring capabilities for such complex distributed environments. In this project, we addressed these problems by designing an abstract API, enabled by novel semantic resource descriptions, for provisioning complex and heterogeneous resources from multiple providers using their native provisioning mechanisms and control planes: computational, storage, and multi-layered high-speed network domains. We used an extensible resource representation based on semantic web technologies to afford maximum flexibility to applications in specifying their needs. We evaluated the effectiveness of provisioning using representative data-intensive ap- plications. We also developed mechanisms for providing feedback about resource performance to the application, to enable closed-loop feedback control and dynamic adjustments to resource allo- cations (elasticity). This was enabled through development of a novel persistent query framework that consumes disparate sources of monitoring data, including perfSONAR, and provides scalable distribution of asynchronous notifications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Tachyon: Intelligent Multi-Scale Modeling of Distributed Resilient Infrastructure and Workflows for Data Intensive HEP Analyses

The DOE High Energy Physics (HEP) program in Neutrino and Collider science drives data-intensive science and simulation on extreme-scale platforms. Modeling and optimizing the complex distributed components from experimental to leadership computing facilities are essential for HEP workflows to achieve required response times and resilience under various conditions. Tachyon proposes a framework for scalable modeling, simulation, and validation of key performance characteristics for the distributed infrastructure between FNAL and ALCF, along with associated HEP workflows.

Carothers, Chris [Rensselaer Poly.]↗

DOE OSTI2026

Tachyon: Intelligent Multi-Scale Modeling of Distributed Resilient Infrastructure and Workflows for Data Intensive HEP Analyses

Carothers, Chris [Rensselaer Poly.]↗

NASA NTRS2023

Do Citizen Science Intense Observation Periods Increase Data Usability? A Deep Dive of the NASA GLOBE Clouds Data Set With Satellite Comparisons

The Global Learning and Observations to Benefit the Environment (GLOBE) citizen science program has recently conducted a series of month-long intensive observation periods (IOPs), asking the public to submit daily reports on cloud and sky conditions from all regions of Earth. This provides a wealth of crowdsourced observations from the ground, which complements other conventional scientific cloud data. In addition, the GLOBE reports are matched in space and time with geostationary and low Earth orbit satellites, which allows for a straightforward comparison of cloud properties, and minimizes the biases associated with mismatched sampling between participants and satellites. The matched GLOBE dataset is used to calculate the mean observed cloud cover by atmospheric level both worldwide and by region. The overall magnitudes of cloud cover between the GLOBE participants and the matched satellites agree within 10%, which is notable given the distinctly different natures of the data sources. The mean vertical cloud profiles show GLOBE reporting more low-level clouds and fewer high-level clouds than satellites. The low cloud disagreement is likely related to satellites missing low clouds when high clouds block their view. Conversely, the high cloud disagreement is related primarily to cloud opacity, as satellites may miss some optically thin clouds. Monte Carlo testing shows the results to be robust, and the tripled amount of IOP data reduces uncertainty by half. These findings also highlight ways in which citizen science IOP data may be used to support scientific research while accounting for their unique properties. Plain Language Summary: Citizen science is becoming an increasingly prominent aspect of scientific research, and so it important to study how citizen science data can be used effectively. For example, The GLOBE Program has recently conducted a series of special data-collecting events, or “challenges”, which gathered large numbers of reports on cloud and sky conditions. Because NASA GLOBE Clouds matches the participant reports with cloud observations from satellites, we can use these data to get a combined view of clouds from above and below. When looking at the average cloud cover for different atmospheric levels across Earth, we find that the GLOBE participants and the satellites agree quite closely. This is a surprising and fascinating find, given how different in nature volunteer ground reports are to satellite measurements. However, there are some small but notable disagreements between GLOBE participants and satellites about the distribution of cloud cover at different levels. In addition, by testing the data for uncertainty, we show that the results from the GLOBE data are reliable, and that more public participation improves the reliability. So, by carefully designing the analysis methodology, and by testing for the uncertainty of the data, citizen science can make a meaningful contribution to scientific research.

J. Brant Dodson↗

DOE OSTI2019

Measuring the impact of burst buffers on data-intensive scientific workflows

Science applications frequently produce and consume large volumes of data, but delivering this data to and from compute resources can be concerning, as parallel file system performance is not keeping up with compute and memory performance. To alter this I/O bottleneck, some systems have deployed burst buffers, but their impact on performance for real-world scientific workflow applications is still not clear. In this paper, we examine the impact of burst buffers through the remote-shared, allocatable burst buffers on the Cori system at NERSC. By running two data-intensive workflows, a high-throughput genome analysis workflow, and a subset of the SCEC high-performance CyberShake workflow, a production seismic hazard analysis workflow, we find that using burst buffers offers read and write improvements of an order of magnitude, and these improvements lead to increased job performance, and thereby increased overall workflow performance, even for long-running CPU-bound jobs.

42 ENGINEERING↗

NASA NTRSDate not supplied

Do Citizen Science Intense Observation Periods Increase Data Usability? A Deep Dive of the NASA GLOBE Clouds Data Set With Satellite Comparisons

Explore the source record for details and available documents.

J. Brant Dodson↗

DOE OSTI2013

Biological and Environmental Research Network Requirements

09 BIOMASS FUELS↗

DOE OSTI2013

High Energy Physics and Nuclear Physics Network Requirements

The Energy Sciences Network (ESnet) is the primary provider of network connectivity for the U.S. Department of Energy (DOE) Office of Science (SC), the single largest supporter of basic research in the physical sciences in the United States. In support of SC programs, ESnet regularly updates and refreshes its understanding of the networking requirements needed by instruments, facilities, scientists, and science programs that it serves. This focus has helped ESnet to be a highly successful enabler of scientific discovery for over 25 years. In August 2013, ESnet and the DOE SC Offices of High Energy Physics (HEP) and Nuclear Physics (NP) organized a review to characterize the networking requirements of the programs funded by the HEP and NP program offices. Several key findings resulted from the review. Among them: 1. The Large Hadron Collider's ATLAS (A Toroidal LHC Apparatus) and CMS (Compact Muon Solenoid) experiments are adopting remote input/output (I/O) as a core component of their data analysis infrastructure. This will significantly increase their demands on the network from both a reliability perspective and a performance perspective. 2. The Large Hadron Collider (LHC) experiments (particularly ATLAS and CMS) are working to integrate network awareness into the workflow systems that manage the large number of daily analysis jobs (1 million analysis jobs per day for ATLAS), which are an integral part of the experiments. Collaboration with networking organizations such as ESnet, and the consumption of performance data (e.g., from perfSONAR [PERformance Service Oriented Network monitoring Architecture]) are critical to the success of these efforts. 3. The international aspects of HEP and NP collaborations continue to expand. This includes the LHC experiments, the Relativistic Heavy Ion Collider (RHIC) experiments, the Belle II Collaboration, the Large Synoptic Survey Telescope (LSST), and others. The international nature of these collaborations makes them heavily reliant on transoceanic connectivity, which is subject to longer term service disruptions than terrestrial connectivity. The network engineering aspects of undersea connectivity will continue to be a significant part of the planning, deployment, and operation of the data analysis infrastructure for HEP and NP experiments for the foreseeable future. Given their critical dependency on networking services, the experiments have expressed the need for tight integration (both technically and operationally) of the domestic and the transoceanic parts of the network infrastructure that supports the experiments. 4. The datasets associated with simulations continue to increase in size, and the need to move these datasets between analysis centers is placing ever-increasing demands on networks and on data management systems at the supercomputing centers. In addition, there is a need to harmonize cybersecurity practice with the data transfer performance requirements of the science. This report expands on these points, and addresses others as well. The report contains a findings section in addition to the text of the case studies discussed during the review.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Improving Data Mobility & Management for International Cosmology

In February 2015 the third workshop in the CrossConnects series, with a focus on Improving Data Mobility & Management for International Cosmology, was held at Lawrence Berkeley National Laboratory. Scientists from fields including astrophysics, cosmology, and astronomy collaborated with experts in computing and networking to outline strategic opportunities for enhancing scientific productivity and effectively managing the ever-increasing scale of scientific data. While each field has unique details which depend on the instruments employed, the type and scale of the data, and the structure of scientific collaborations, several important themes emerged from the workshop discussions. Findings, as well as a set of recommendations, are contained in their respective sections in this report.

79 ASTRONOMY AND ASTROPHYSICS↗