High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required to unlock the computing power of leadingedge systems, currently referred to as pre-Exascale systems, based on increasingly complex architectures. In this paper, we present the approach implemented in the computational mechanics code Alya. We describe in detail the parallelization strategy implemented to fully exploit the different levels of parallelism, together with a novel co-execution method for the efficient utilization of heterogeneous CPU/GPU architectures. The latter is based on a multi-code co-execution approach with a dynamic load balancing mechanism. The assessment of the performance of all the proposed strategies has been carried out for airplane simulations on the POWER9 architecture accelerated with NVIDIA Volta V100 GPUs. * c 2020 Elsevier. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ https://doi.
The main computing tasks of a finite element code(FE) for solving partial differential equations (PDE's) are the algebraic system assembly and the iterative solver. This work focuses on the first task, in the context of a hybrid MPI+X paradigm. Although we will describe algorithms in the FE context, a similar strategy can be straightforwardly applied to other discretization methods, like the finite volume method. The matrix assembly consists of a loop over the elements of the MPI partition to compute element matrices and right-hand sides and their assemblies in the local system to each MPI partition. In a MPI+X hybrid parallelism context, X has consisted traditionally of loop parallelism using OpenMP. Several strategies have been proposed in the literature to implement this loop parallelism, like coloring or substructuring techniques to circumvent the race condition that appears when assembling the element system into the local system. The main drawback of the first technique is the decrease of the IPC due to bad spatial locality. The second technique avoids this issue but requires extensive changes in the implementation, which can be cumbersome when several element loops should be treated. We propose an alternative, based on the task parallelism of the element loop using some extensions to the OpenMP programming model. The taskification of the assembly solves both aforementioned problems. In addition, dynamic load balance will be applied using the DLB library, especially efficient in the presence of hybrid meshes, where the relative costs of the different elements is impossible to estimate a priori. This paper presents the proposed methodology, its implementation and its validation through the solution of large computational mechanics problems up to 16k cores.
Computational fluid and particle dynamics (CFPD) simulations are of paramount importance for studying and improving drug effectiveness. Computational requirements of CFPD codes demand high-performance computing (HPC) resources. For these reasons, we introduce and evaluate in this article system software techniques for improving performance and tolerating load imbalance on a state-of-the-art production CFPD code. We demonstrate benefits of these techniques on Intel-, IBM- and Arm-based HPC technologies ranked in the Top500 supercomputers, showing the importance of using mechanisms applied at runtime to improve the performance independently of the underlying architecture. We run a real CFPD simulation of particle tracking on the human respiratory system, showing performance improvements of up to 2×, across different architectures, while applying runtime techniques and keeping constant the computational resources.
The recent rapid growth of the data-flow programming paradigm enabled the development of specific architectures, e.g., for machine learning. The most known example is the Tensor Processing Unit (TPU) by Google. Standard data-centers, however, still can not foresee large partitions dedicated to machine learning specific architectures. Within data-centers, the High-Performance Computing (HPC) clusters are highly parallel machines targeting a broad class of compute-intensive workflows, as such they can be used for tackling machine learning challenges. On top of this, HPC architectures are rapidly changing, including accelerators and instruction sets other than the classical x86 CPUs. In this blurry scenario, identifying which are the best hardware/software configurations to efficiently support machine learning workloads on HPC clusters is not trivial. In this paper, we considered the workflow of TensorFlow for image recognition. We highlight the strong dependency of the performance in the training phase on the availability of arithmetic libraries optimized for the underlying architecture. Following the example of Intel leveraging the MKL libraries for improving the TensorFlow performance, we plugged the Arm Performance Libraries into TensorFlow and tested on an HPC cluster based on Marvell ThunderX2 CPUs. Also, we performed a scalability study on three state-of-the-art HPC clusters based on different CPU architectures, x86 Intel Skylake, Arm-v8 Marvell ThunderX2, and PowerPC IBM Power9.
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