SPH-EXA: Enhancing the Scalability of SPH codes Via an Exascale-Ready SPH Mini-App

Numerical simulations of fluids in astrophysics and computational fluid dynamics (CFD) are among the most computationally-demanding calculations, in terms of sustained floating-point operations per second, or FLOP/s. It is expected that these numerical simulations will significantly benefit from the future Exascale computing infrastructures, that will perform 10^18 FLOP/s. The performance of the SPH codes is, in general, adversely impacted by several factors, such as multiple time-stepping, long-range interactions, and/or boundary conditions. In this work an extensive study of three SPH implementations SPHYNX, ChaNGa, and XXX is performed, to gain insights and to expose any limitations and characteristics of the codes. These codes are the starting point of an interdisciplinary co-design project, SPH-EXA, for the development of an Exascale-ready SPH mini-app. We implemented a rotating square patch as a joint test simulation for the three SPH codes and analyzed their performance on a modern HPC system, Piz Daint. The performance profiling and scalability analysis conducted on the three parent codes allowed to expose their performance issues, such as load imbalance, both in MPI and OpenMP. Two-level load balancing has been successfully applied to SPHYNX to overcome its load imbalance. The performance analysis shapes and drives the design of the SPH-EXA mini-app towards the use of efficient parallelization methods, fault-tolerance mechanisms, and load balancing approaches.Comment: arXiv admin note: substantial text overlap with arXiv:1809.0801

Master of Science

thesisQUIC EnvSim (QES) is a complete building-resolving urban microclimate modeling system developed to rapidly compute mass, momentum, and heat transport for the design of sustainable cities. One of the more computationally intensive components of this type of modeling system is the transport and dispersion of scalars. In this paper, we describe and evaluate QESTransport, a Reynolds-averaged Navier-Stokes (RANS) scalar transport model. QESTransport makes use of light-weight methods and modeling techniques. It is parallelized for Graphics Processing Units (GPUs), utilizing NVIDIA's OptiX application programming interfaces (APIs). QESTransport is coupled with the well-validated QUIC Dispersion Modeling system. To couple the models, a new methodology was implemented to efficiently prescribe surface flux boundary conditions on both vertical walls and flat surfaces. In addition, a new internal boundary layer parameterization was introduced into QUIC to enable the representation of momentum advection across changing surface conditions. QESTransport is validated against the following three experimental test cases designed to evaluate the model's performance under idealized conditions: (i) flow over a step change in moisture, roughness, and temperature, (ii) flow over an isolated heated building, and (iii) flow through an array of heated buildings. For all three cases, the model is compared against published simulation results. QESTransport produces velocity, temperature, and moisture fields that are comparable to much more complex numerical models for each case. The code execution time performance is evaluated and demonstrates linear scaling on a single GPU for problem sizes up to 4.5 x 4.5 km at 5 m grid resolution, and is found to produce results at much better than real time for a 1.2 x 1.2 km section of downtown Salt Lake City, Utah

Multi-objective optimisation methods applied to aircraft techno-economic and environmental issues

Engineering methods that couple multi-objective optimisation (MOO) techniques with high fidelity computational tools are expected to minimise the environmental impact of aviation while increasing the growth, with the potential to reveal innovative solutions. In order to mitigate the compromise between computational efficiency and fidelity, these methods can be accelerated by harnessing the computational efficiency of Graphic Processor Units (GPUs). The aim of the research is to develop a family of engineering methods to support research in aviation with respect to the environmental and economic aspects. In order to reveal the non-dominated trade-o_, also known as Pareto Front(PF), among conflicting objectives, a MOO algorithm, called Multi-Objective Tabu Search 2 (MOTS2), is developed, benchmarked relative to state-of-the-art methods and accelerated by using GPUs. A prototype fluid solver based on GPU is also developed, so as to simulate the mixing capability of a microreactor that could potentially be used in fuel-saving technologies in aviation. By using the aforementioned methods, optimal aircraft trajectories in terms of flight time, fuel consumption and emissions are generated, and alternative designs of a microreactor are suggested, so as to assess the trade-offs between pressure losses and the micro-mixing capability. As a key contribution to knowledge, with reference to competitive optimisers and previous cases, the capabilities of the proposed methodology are illustrated in prototype applications of aircraft trajectory optimisation (ATO) and micromixing optimisation with 2 and 3 objectives, under operational and geometrical constraints, respectively. In the short-term, ATO ought to be applied to existing aircraft. In the long-term, improving the micro-mixing capability of a microreactor is expected to enable the use of hydrogen-based fuel. This methodology is also benchmarked and assessed relative to state-of-the-art techniques in ATO and micro-mixing optimisation with known and unknown trade-offs, whereas the former could only optimise 2 objectives and the latter could not exploit the computational efficiency of GPUs. The impact of deploying on GPUs a micro-mixing _ow solver, which accelerates the generation of trade-off against a reference study, and MOTS2, which illustrates the scalability potential, is assessed. With regard to standard analytical function test cases and verification cases in MOO, MOTS2 can handle the multi-modality of the trade-o_ of ZDT4, which is a MOO benchmark function with many local optima that presents a challenge for a state-of-the-art genetic algorithm for ATO, called NSGAMO, based on case studies in the public domain. However, MOTS2 demonstrated worse performance on ZDT3, which is a MOO benchmark function with a discontinuous trade-o_, for which NSGAMO successfully captured the target PF. Comparing their overall performance, if the shape of the PF is known, MOTS2 should be preferred in problems with multi-modal trade-offs, whereas NSGAMO should be employed in discontinuous PFs. The shape of the trade-o_ between the objectives in airfoil shape optimisation, ATO and micro-mixing optimisation was continuous. The weakness of MOTS2 to sufficiently capture the discontinuous PF of ZDT3 was not critical in the studied examples … [cont.]

SPH modeling of water-related natural hazards

This paper collects some recent smoothed particle hydrodynamic (SPH) applications in the field of natural hazards connected to rapidly varied flows of both water and dense granular mixtures including sediment erosion and bed load transport. The paper gathers together and outlines the basic aspects of some relevant works dealing with flooding on complex topography, sediment scouring, fast landslide dynamics, and induced surge wave. Additionally, the preliminary results of a new study regarding the post-failure dynamics of rainfall-induced shallow landslide are presented. The paper also shows the latest advances in the use of high performance computing (HPC) techniques to accelerate computational fluid dynamic (CFD) codes through the efficient use of current computational resources. This aspect is extremely important when simulating complex three-dimensional problems that require a high computational cost and are generally involved in the modeling of water-related natural hazards of practical interest. The paper provides an overview of some widespread SPH free open source software (FOSS) codes applied to multiphase problems of theoretical and practical interest in the field of hydraulic engineering. The paper aims to provide insight into the SPH modeling of some relevant physical aspects involved in water-related natural hazards (e.g., sediment erosion and non-Newtonian rheology). The future perspectives of SPH in this application field are finally pointed out

Computational Methods in Science and Engineering : Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany

In this proceedings volume we provide a compilation of article contributions equally covering applications from different research fields and ranging from capacity up to capability computing. Besides classical computing aspects such as parallelization, the focus of these proceedings is on multi-scale approaches and methods for tackling algorithm and data complexity. Also practical aspects regarding the usage of the HPC infrastructure and available tools and software at the SCC are presented

DAPHNE: An Open and Extensible System Infrastructure for Integrated Data Analysis Pipelines

Integrated data analysis (IDA) pipelines—that combine data management (DM) and query processing, high-performance computing (HPC), and machine learning (ML) training and scoring—become increasingly common in practice. Interestingly, systems of these areas share many compilation and runtime techniques, and the used—increasingly heterogeneous—hardware infrastructure converges as well. Yet, the programming paradigms, cluster resource management, data formats and representations, as well as execution strategies differ substantially. DAPHNE is an open and extensible system infrastructure for such IDA pipelines, including language abstractions, compilation and runtime techniques, multi-level scheduling, hardware (HW) accelerators, and computational storage for increasing productivity and eliminating unnecessary overheads. In this paper, we make a case for IDA pipelines, describe the overall DAPHNE system architecture, its key components, and the design of a vectorized execution engine for computational storage, HW accelerators, as well as local and distributed operations. Preliminary experiments that compare DAPHNE with MonetDB, Pandas, DuckDB, and TensorFlow show promising results

New strategies for the aerodynamic design optimization of aeronautical configurations through soft-computing techniques

Premio Extraordinario de Doctorado de la UAH en 2013Lozano Rodríguez, Carlos, codir.This thesis deals with the improvement of the optimization process in the aerodynamic design of aeronautical configurations. Nowadays, this topic is of great importance in order to allow the European aeronautical industry to reduce their development and operational costs, decrease the time-to-market for new aircraft, improve the quality of their products and therefore maintain their competitiveness. Within this thesis, a study of the state-of-the-art of the aerodynamic optimization tools has been performed, and several contributions have been proposed at different levels: -One of the main drawbacks for an industrial application of aerodynamic optimization tools is the huge requirement of computational resources, in particular, for complex optimization problems, current methodological approaches would need more than a year to obtain an optimized aircraft. For this reason, one proposed contribution of this work is focused on reducing the computational cost by the use of different techniques as surrogate modelling, control theory, as well as other more software-related techniques as code optimization and proper domain parallelization, all with the goal of decreasing the cost of the aerodynamic design process. -Other contribution is related to the consideration of the design process as a global optimization problem, and, more specifically, the use of evolutionary algorithms (EAs) to perform a preliminary broad exploration of the design space, due to their ability to obtain global optima. Regarding this, EAs have been hybridized with metamodels (or surrogate models), in order to substitute expensive CFD simulations. In this thesis, an innovative approach for the global aerodynamic optimization of aeronautical configurations is proposed, consisting of an Evolutionary Programming algorithm hybridized with a Support Vector regression algorithm (SVMr) as a metamodel. Specific issues as precision, dataset training size, geometry parameterization sensitivity and techniques for design of experiments are discussed and the potential of the proposed approach to achieve innovative shapes that would not be achieved with traditional methods is assessed. -Then, after a broad exploration of the design space, the optimization process is continued with local gradient-based optimization techniques for a finer improvement of the geometry. Here, an automated optimization framework is presented to address aerodynamic shape design problems. Key aspects of this framework include the use of the adjoint methodology to make the computational requirements independent of the number of design variables, and Computer Aided Design (CAD)-based shape parameterization, which uses the flexibility of Non-Uniform Rational B-Splines (NURBS) to handle complex configurations. The mentioned approach is applied to the optimization of several test cases and the improvements of the proposed strategy and its ability to achieve efficient shapes will complete this study