GPUs offer several times the floating point performance and memory bandwidth of current standard two socket CPU servers, e.g. NVIDIA C2070 vs. Intel Xeon Westmere X5650. The lattice Boltzmann method has been established as a flow solver in recent years and was one of the first flow solvers to be successfully ported and that performs well on GPUs. We demonstrate advanced optimization strategies for a D3Q19 lattice Boltzmann based incompressible flow solver for GPGPUs and CPUs based on NVIDIA CUDA and OpenCL. Since the implemented algorithm is limited by memory bandwidth, we concentrate on improving memory access. Basic data layout issues for optimal data access are explained and discussed. Furthermore, the algorithmic steps are rearranged to improve scattered access of the GPU memory. The importance of occupancy is discussed as well as optimization strategies to improve overall concurrency. We arrive at a well-optimized GPU kernel, which is integrated into a larger framework that can handle single phase fluid flow simulations as well as particle-laden flows. Our 3D LBM GPU implementation reaches up to 650 MLUPS in single precision and 290 MLUPS in double precision on an NVIDIA Tesla C2070.
Sustaining a large fraction of single GPU performance in parallel computations is considered to be the major problem of GPU-based clusters. In this article, this topic is addressed in the context of a lattice Boltzmann flow solver that is integrated in the WaLBerla software framework. We propose a multi-GPU implementation using a block-structured MPI parallelization, suitable for load balancing and heterogeneous computations on CPUs and GPUs. The overhead required for multi-GPU simulations is discussed in detail and it is demonstrated that the kernel performance can be sustained to a large extent. With our GPU implementation, we achieve nearly perfect weak scalability on InfiniBand clusters. However, in strong scaling scenarios multi-GPUs make less efficient use of the hardware than IBM BG/P and x86 clusters. Hence, a cost analysis must determine the best course of action for a particular simulation task. Additionally, weak scaling results of heterogeneous simulations conducted on CPUs and GPUs simultaneously are presented using clusters equipped with varying node configurations.
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