Modern science often requires the execution of large-scale, multi-stage simulation and data analysis pipelines to enable the study of complex systems. The amount of computation and data involved in these pipelines requires scalable workflow management systems that are able to reliably and efficiently coordinate and automate data movement and task execution on distributed computational resources: campus clusters, national cyberinfrastructures, and commercial and academic clouds. This paper describes the design, development and evolution of the Pegasus Workflow Management System, which maps abstract workflow descriptions onto distributed computing infrastructures. Pegasus has been used for more than twelve years by scientists in a wide variety of domains, including astronomy, seismology, bioinformatics, physics and others. This paper provides an integrated view of the Pegasus system, showing its capabilities that have been developed over time in response to application needs and to the evolution of the scientific computing platforms. The paper describes how Pegasus achieves reliable, scalable workflow execution across a wide variety of computing infrastructures.

CyberShake, as part of the Southern California Earthquake Center's (SCEC) Community Modeling Environment, is developing a methodology that explicitly incorporates deterministic source and wave propagation effects within seismic hazard calculations through the use of physics-based 3D ground motion simulations. To calculate a waveform-based seismic hazard estimate for a site of interest, we begin with Uniform California Earthquake Rupture Forecast, Version 2.0 (UCERF2.0) and identify all ruptures within 200 km of the site of interest. We convert the UCERF2.0 rupture definition into multiple rupture variations with differing hypocenter locations and slip distributions, resulting in about 415,000 rupture variations per site. Strain Green Tensors are calculated for the site of interest using the SCEC Community Velocity Model, Version 4 (CVM4), and then, using reciprocity, we calculate synthetic seismograms for each rupture variation. Peak intensity measures are then extracted from these synthetics and combined with the original rupture probabilities to produce probabilistic seismic hazard curves for the site. Being explicitly site-based, CyberShake directly samples the ground motion variability at that site over many earthquake cycles (i.e., rupture scenarios) and alleviates the need for the ergodic assumption that is implicitly included in traditional empirically based calculations. Thus far, we have simulated ruptures at over 200 sites in the Los Angeles region for ground shaking periods of 2 s and longer, providing the basis for the first generation CyberShake hazard maps. Our results indicate that the combination of rupture directivity and basin response effects can lead to an increase in the hazard level for some sites, relative to that given by a conventional Ground Motion Prediction Equation (GMPE). Additionally, and perhaps more importantly, we find that the physics-based hazard results are much more sensitive to the assumed magnitude-area relations and magnitude uncertainty estimates used in the definition of the ruptures than is found in the traditional GMPE approach. This reinforces the need for continued development of a better understanding of earthquake source characterization and the constitutive relations that govern the earthquake rupture process.

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Crustal seismic-velocity models and datasets play a key role in regional 3D numerical earthquake ground-motion simulation, full waveform tomography, and modern physics-based probabilistic earthquake-hazard analysis, as well as in other related fields, including geophysics and earthquake engineering. Most of these models and datasets, often collectively identified as Community Velocity Models (CVMs), synthesize information from multiple sources and are delivered to users in variable formats, including computer applications that allow for interactive querying of material properties, namely P-and S-wave velocities and density ρ. Computational users often require massive and repetitive access to velocity models and datasets, and such access is often unpractical and difficult due to a lack of standardized methods and procedures. To overcome these issues and to facilitate access by the community to these models, the Southern California Earthquake Center developed the Unified CVM (UCVM) software framework, an open-source collection of tools that enables users to access one or more seismic-velocity models, while providing a standard query interface. Here, we describe the research challenges that motivated the development of UCVM, its software design, development approach, and basic capabilities, as well as a few examples of seismic-modeling applications that use UCVM.