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Wells, Jack C.

Publications and source records attributed to Wells, Jack C..

Big PanDa Workflow Management on Titan for High Energy and Nuclear Physics and for Future Extreme Scale Scientific Application

Over a three year period, from 2016-2019, this project demonstrated the scientific benefits of integrating the Titan supercomputer at Oak Ridge Leadership Computing Facility into traditional high throughput grid based distributed computing systems managed by PanDA, the workflow management system used for the execution of all distributed computing applications by the ATLAS experiment at the Large Hadron Collider. PanDA manages millions of batch jobs daily at hundreds of clusters worldwide on request by thousands of physicist users, and processes more than an exabyte of data annually using grid middleware. High levels of operational use of Titan was sustained by PanDA in order to meet the physics goals of ATLAS. The success of this project led to the use of other supercomputers worldwide by ATLAS, and to the adoption of PanDA by other experiments and other scientists. Multiple innovative operational and computer science research goals were achieved supporting the use of supercomputers for scientific domains with large scale distributed data and distributed processing needs.

97 MATHEMATICS AND COMPUTING↗

Audience Based View of Publication Impact

With increasing pressure to demonstrate a return on investment, scienti c user facilities and government funded research projects must strive to demonstrate positive impact of their research on oth- ers. Historically, citation counts and journal impact factor have been widely used as a single quantitative measure of impact. However, with the expansion of various modes of communication, citation counts no longer hold as much merit as a single measure of impact. This work seeks to expand on citation counts by considering the audience to which a publication draws attention. Based on commu- nication mode, there are various audiences that may be "impacted" but those audiences are not fully captured by citation count. Conse- quently, we propose that impact measures for publications should be oriented around the audience with quanti able measures based on the various communication modes.

Patton, Robert↗

High Performance Computing Facility Operational Assessment 2016 - Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory’s (ORNL’s) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable systems; creating innovative solutions for high-performance computing (HPC) needs; and managing risks, safety, and security associated with operating one of the most powerful computers in the world. The results can be seen in the cutting-edge science delivered by users and the praise from the research community. Calendar year (CY) 2016 was filled with outstanding operational results and accomplishments: a very high rating from users on overall satisfaction for the third year in a row; the greatest number of core hours delivered to research projects; the largest number of research publications for the life of Titan; and success in delivering on the allocation of 60%, 30%, and 10% of core hours offered for the Innovative and Novel Computational Impact on Theory and Experiment (INCITE), Advanced Scientific Computing Research Leadership Computing Challenge (ALCC), and Director’s Discretionary (DD) programs, respectively. These accomplishments, coupled with the extremely high utilization rate, represent the fulfillment of the promise of Titan: maximum use by maximum-size simulations.

97 MATHEMATICS AND COMPUTING↗

High Performance Computing Facility Operational Assessment 2015: Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory’s (ORNL’s) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable systems; creating innovative solutions for high-performance computing (HPC) needs; and managing risks, safety, and security aspects associated with operating one of the most powerful computers in the world. The results can be seen in the cutting-edge science delivered by users and the praise from the research community. Calendar year (CY) 2015 was filled with outstanding operational results and accomplishments: a very high rating from users on overall satisfaction that ties the highest-ever mark set in CY 2014; the greatest number of core-hours delivered to research projects; the largest percentage of capability usage since the OLCF began tracking the metric in 2009; and success in delivering on the allocation of 60, 30, and 10% of core hours offered for the INCITE (Innovative and Novel Computational Impact on Theory and Experiment), ALCC (Advanced Scientific Computing Research Leadership Computing Challenge), and Director’s Discretionary programs, respectively. These accomplishments, coupled with the extremely high utilization rate, represent the fulfillment of the promise of Titan: maximum use by maximum-size simulations. The impact of all of these successes and more is reflected in the accomplishments of OLCF users, with publications this year in notable journals Nature, Nature Materials, Nature Chemistry, Nature Physics, Nature Climate Change, ACS Nano, Journal of the American Chemical Society, and Physical Review Letters, as well as many others. The achievements included in the 2015 OLCF Operational Assessment Report reflect first-ever or largest simulations in their communities; for example Titan enabled engineers in Los Angeles and the surrounding region to design and begin building improved critical infrastructure by enabling the highest-resolution Cybershake map for Southern California to date. The Titan system provides the largest extant heterogeneous architecture for computing and computational science. Usage is high, delivering on the promise of a system well-suited for capability simulations for science. This success is due in part to innovations in tracking and reporting the activity on the compute nodes, and using this information to further enable and optimize applications, extending and balancing workload across the entire node. The OLCF continues to invest in innovative processes, tools, and resources necessary to meet continuing user demand. The facility’s leadership in data analysis and workflows was featured at the Department of Energy (DOE) booth at SC15, for the second year in a row, highlighting work with researchers from the National Library of Medicine coupled with unique computational and data resources serving experimental and observational data across facilities. Effective operations of the OLCF play a key role in the scientific missions and accomplishments of its users. Building on the exemplary year of 2014, as shown by the 2014 Operational Assessment Report (OAR) review committee response in Appendix A, this OAR delineates the policies, procedures, and innovations implemented by the OLCF to continue delivering a multi-petaflop resource for cutting-edge research. This report covers CY 2015, which, unless otherwise specified, denotes January 1, 2015, through December 31, 2015.

97 MATHEMATICS AND COMPUTING↗

HPC s Pivot to Data

Computer centers such as NERSC and OLCF have traditionally focused on delivering computational capability that enables breakthrough innovation in a wide range of science domains. Accessing that computational power has required services and tools to move the data from input and output to computation and storage. A ''pivot to data'' is occurring in HPC. Data transfer tools and services that were previously peripheral are becoming integral to scientific workflows. Emerging requirements from high-bandwidth detectors, high-throughput screening techniques, highly concur- rent simulations, increased focus on uncertainty quantification, and an emerging open-data policy posture toward published research are among the data-drivers shaping the networks, file systems, databases, and overall compute and data environment. In this paper we explain the pivot to data in HPC through user requirements and the changing resources provided by HPC with particular focus on data movement. For WAN data transfers we present the results of a study of network performance between centers.

97 MATHEMATICS AND COMPUTING↗