Lattice Boltzmann method (LBM) is a promising approach to solving Computational Fluid Dynamics (CFD) problems, however, its nature of memory-boundness limits nearly all LBM algorithms' performance on modern computer architectures. This paper introduces novel sequential and parallel 3D memory-aware LBM algorithms to optimize its memory access performance. The introduced new algorithms combine the features of single-copy distribution, single sweep, swap algorithm, prism traversal, and merging two temporal time steps. We also design a parallel methodology to guarantee thread safety and reduce synchronizations in the parallel LBM algorithm. At last, we evaluate their performances on three high-end manycore systems and demonstrate that our new 3D memory-aware LBM algorithms outperform the state-of-the-art Palabos software (which realizes the Fuse Swap Prism LBM solver) by up to 89%.
Lattice Boltzmann method (LBM) is a promising approach to solving Computational Fluid Dynamics (CFD) problems, however, its nature of memory-boundness limits nearly all LBM algorithms' performance on modern computer architectures. This paper introduces novel sequential and parallel 3D memory-aware LBM algorithms to optimize its memory access performance. The introduced new algorithms combine the features of single-copy distribution, single sweep, swap algorithm, prism traversal, and merging two temporal time steps. We also design a parallel methodology to guarantee thread safety and reduce synchronizations in the parallel LBM algorithm. At last, we evaluate their performances on three high-end manycore systems and demonstrate that our new 3D memory-aware LBM algorithms outperform the state-of-the-art Palabos software (which realizes the Fuse Swap Prism LBM solver) by up to 89%.
Workflow management systems (WMSs) are commonly used to organize/automate sequences of tasks as workflows to accelerate scientific discoveries. During complex workflow modeling, a local interactive workflow environment is desirable, as users usually rely on their rich, local environments for fast prototyping and refinements before they consider using more powerful computing resources. However, existing WMSs do not simultaneously support local interactive workflow environments and HPC resources. In this paper, we present an on-demand access mechanism to remote HPC resources from desktop/laptopbased workflow management software to compose, monitor and analyze scientific workflows in the CyberWater project. Cyber-Water is an open-data and open-modeling software framework for environmental and water communities. In this work, we extend the open-model, open-data design of CyberWater with on-demand HPC accessing capacity. In particular, we design and implement the LaunchAgent library, which can be integrated into the local desktop environment to allow on-demand usage of remote resources for hydrology-related workflows. LaunchAgent manages authentication to remote resources, prepares the computationally-intensive or data-intensive tasks as batch jobs, submits jobs to remote resources, and monitors the quality of services for the users. LaunchAgent interacts seamlessly with other existing components in CyberWater, which is now able to provide advantages of both feature-rich desktop software experience and increased computation power through on-demand HPC/Cloud usage. In our evaluations, we demonstrate how a hydrology workflow that consists of both local and remote tasks can be constructed and show that the added on-demand HPC/Cloud usage helps speeding up hydrology workflows while allowing intuitive workflow configurations and execution using a desktop graphical user interface.
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