Achieving High Speed CFD simulations: Optimization, Parallelization, and FPGA Acceleration for the unstructured DLR TAU Code

Today, large scale parallel simulations are fundamental tools to handle complex problems. The number of processors in current computation platforms has been recently increased and therefore it is necessary to optimize the application performance and to enhance the scalability of massively-parallel systems. In addition, new heterogeneous architectures, combining conventional processors with specific hardware, like FPGAs, to accelerate the most time consuming functions are considered as a strong alternative to boost the performance. In this paper, the performance of the DLR TAU code is analyzed and optimized. The improvement of the code efficiency is addressed through three key activities: Optimization, parallelization and hardware acceleration. At first, a profiling analysis of the most time-consuming processes of the Reynolds Averaged Navier Stokes flow solver on a three-dimensional unstructured mesh is performed. Then, a study of the code scalability with new partitioning algorithms are tested to show the most suitable partitioning algorithms for the selected applications. Finally, a feasibility study on the application of FPGAs and GPUs for the hardware acceleration of CFD simulations is presented

Enhancing Energy Production with Exascale HPC Methods

High Performance Computing (HPC) resources have become the key actor for achieving more ambitious challenges in many disciplines. In this step beyond, an explosion on the available parallelism and the use of special purpose processors are crucial. With such a goal, the HPC4E project applies new exascale HPC techniques to energy industry simulations, customizing them if necessary, and going beyond the state-of-the-art in the required HPC exascale simulations for different energy sources. In this paper, a general overview of these methods is presented as well as some specific preliminary results.The research leading to these results has received funding from the European Union's Horizon 2020 Programme (2014-2020) under the HPC4E Project (www.hpc4e.eu), grant agreement n° 689772, the Spanish Ministry of Economy and Competitiveness under the CODEC2 project (TIN2015-63562-R), and from the Brazilian Ministry of Science, Technology and Innovation through Rede Nacional de Pesquisa (RNP). Computer time on Endeavour cluster is provided by the Intel Corporation, which enabled us to obtain the presented experimental results in uncertainty quantification in seismic imagingPostprint (author's final draft

A parallel compact-TVD method for compressible fluid dynamics employing shared and distributed-memory paradigms

A novel multi-block compact-TVD finite difference method for the simulation of compressible flows is presented. The method combines distributed and shared-memory paradigms to take advantage of the configuration of modern supercomputers that host many cores per shared-memory node. In our approach a domain decomposition technique is applied to a compact scheme using explicit flux formulas at block interfaces. This method offers great improvement in performance over earlier parallel compact methods that rely on the parallel solution of a linear system. A test case is presented to assess the accuracy and parallel performance of the new method

Extending a serial 3D two-phase CFD code to parallel execution over MPI by using the PETSc library for domain decomposition

To leverage the last two decades' transition in High-Performance Computing (HPC) towards clusters of compute nodes bound together with fast interconnects, a modern scalable CFD code must be able to efficiently distribute work amongst several nodes using the Message Passing Interface (MPI). MPI can enable very large simulations running on very large clusters, but it is necessary that the bulk of the CFD code be written with MPI in mind, an obstacle to parallelizing an existing serial code. In this work we present the results of extending an existing two-phase 3D Navier-Stokes solver, which was completely serial, to a parallel execution model using MPI. The 3D Navier-Stokes equations for two immiscible incompressible fluids are solved by the continuum surface force method, while the location of the interface is determined by the level-set method. We employ the Portable Extensible Toolkit for Scientific Computing (PETSc) for domain decomposition (DD) in a framework where only a fraction of the code needs to be altered. We study the strong and weak scaling of the resulting code. Cases are studied that are relevant to the fundamental understanding of oil/water separation in electrocoalescers.Comment: 8 pages, 6 figures, final version for to the CFD 2014 conferenc

Parallel Anisotropic Unstructured Grid Adaptation

Computational Fluid Dynamics (CFD) has become critical to the design and analysis of aerospace vehicles. Parallel grid adaptation that resolves multiple scales with anisotropy is identified as one of the challenges in the CFD Vision 2030 Study to increase the capacity and capability of CFD simulation. The Study also cautions that computer architectures are undergoing a radical change and dramatic increases in algorithm concurrency will be required to exploit full performance. This paper reviews four different methods to parallel anisotropic grid generation. They cover both ends of the spectrum: (i) using existing state-of-the-art software optimized for a single core and modifying it for parallel platforms and (ii) designing and implementing scalable software with incomplete, but rapidly maturating functionality. A brief overview for each grid adaptation system is presented in the context of a telescopic approach for multilevel concurrency. These methods employ different approaches to enable parallel execution, which provides a unique opportunity to illustrate the relative behavior of each approach. Qualitative and quantitative metric evaluations are used to draw lessons for future developments in this critical area for parallel CFD simulation

The prospect of using LES and DES in engineering design, and the research required to get there

In this paper we try to look into the future to divine how large eddy and detached eddy simulations (LES and DES, respectively) will be used in the engineering design process about 20-30 years from now. Some key challenges specific to the engineering design process are identified, and some of the critical outstanding problems and promising research directions are discussed.Comment: accepted for publication in the Royal Society Philosophical Transactions

Multi-Level Parallelism for Incompressible Flow Computations on GPU Clusters

We investigate multi-level parallelism on GPU clusters with MPI-CUDA and hybrid MPI-OpenMP-CUDA parallel implementations, in which all computations are done on the GPU using CUDA. We explore efficiency and scalability of incompressible flow computations using up to 256 GPUs on a problem with approximately 17.2 billion cells. Our work addresses some of the unique issues faced when merging fine-grain parallelism on the GPU using CUDA with coarse-grain parallelism that use either MPI or MPI-OpenMP for communications. We present three different strategies to overlap computations with communications, and systematically assess their impact on parallel performance on two different GPU clusters. Our results for strong and weak scaling analysis of incompressible flow computations demonstrate that GPU clusters offer significant benefits for large data sets, and a dual-level MPI-CUDA implementation with maximum overlapping of computation and communication provides substantial benefits in performance. We also find that our tri-level MPI-OpenMP-CUDA parallel implementation does not offer a significant advantage in performance over the dual-level implementation on GPU clusters with two GPUs per node, but on clusters with higher GPU counts per node or with different domain decomposition strategies a tri-level implementation may exhibit higher efficiency than a dual-level implementation and needs to be investigated further

Scalability of Incompressible Flow Computations on Multi-GPU Clusters Using Dual-Level and Tri-Level Parallelism

High performance computing using graphics processing units (GPUs) is gaining popularity in the scientific computing field, with many large compute clusters being augmented with multiple GPUs in each node. We investigate hybrid tri-level (MPI-OpenMP-CUDA) parallel implementations to explore the efficiency and scalability of incompressible flow computations on GPU clusters up to 128 GPUS. This work details some of the unique issues faced when merging fine-grain parallelism on the GPU using CUDA with coarse-grain parallelism using OpenMP for intra-node and MPI for inter-node communication. Comparisons between the tri-level MPI-OpenMP-CUDA and dual-level MPI-CUDA implementations are shown using computationally large computational fluid dynamics (CFD) simulations. Our results demonstrate that a tri-level parallel implementation does not provide a significant advantage in performance over the dual-level implementation, however further research is needed to justify our conclusion for a cluster with a high GPU per node density or when using software that can utilize OpenMP’s fine-grain parallelism more effectively