Abstract In this paper we evaluate the performance of Unified Parallel C (which implements the partitioned global address space programming model) using a numerical method that is widely used in fluid dynamics. In order to evaluate the incremental approach to parallelization (which is possible with UPC) and its performance characteristics, we implement different levels of optimization of the UPC code and compare it with an MPI parallelization on four different clusters of the Austrian HPC infrastructure (LEO3, LEO3E, VSC2, VSC3) and on an Intel Xeon Phi. We find that UPC is significantly easier to develop in compared to MPI and that the performance achieved is comparable to MPI in most situations. The obtained results show worse performance (on VSC2), competitive performance (on LEO3, LEO3E and VSC3), and superior performance (on the Intel Xeon Phi) compared with MPI.
Another use of the PGAS paradigm in computational fluid dynamics (CFD) is described in @cite_17 , where the unstructured CFD solver TAU was implemented as a library using the PGAS-API GPI.
@cite_17
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Whereas most applications in the realm of the partitioned global address space make use of PGAS languages we here demonstrate an implementation on top of a PGAS-API. In order to improve the scalability of the unstructured CFD solver TAU we have implemented an asynchronous communication strategy on top of the PGAS-API of GPI. We have replaced the bulk-synchronous two-sided MPI exchange with an asynchronous, RDMA-driven, one-sided communication pattern. We also have developed an asynchronous shared memory strategy for the TAU solver. We demonstrate that the corresponding implementation not only scales one order of magnitude higher than the original MPI implementation, but that it also outperforms the hybrid OpenMP MPI programming model. In this paper, we report on the results of numerical experiments in the field of computational fluid dynamics (CFD) on Amazon's HPC cloud. To this end, we benchmarked our MPI-parallel fluid solver NaSt3DGPF on several HPC compute nodes of the cloud system. Our solver can use CPUs and GPUs to calculate the simulation results. With a pre-requested number of instances we observe for both, CPUs and GPUs, good scalability even for a larger number of parallel processes, provided that the GPUs run in the non-ECC mode. Furthermore, we see a high potential for medium sized parallel compute problems which are typically present in industrial engineering applications. In this work we directly evaluate two PGAS programming models, CAF and OpenSHMEM, as candidate technologies for improving the performance and scalability of scientific applications on future exascale HPC platforms. PGAS approaches are considered by many to represent a promising research direction with the potential to solve some of the existing problems preventing codebases from scaling to exascale levels of performance. The aim of this work is to better inform the exacsale planning at large HPC centres such as AWE. Such organisations invest significant resources maintaining and updating existing scientific codebases, many of which were not designed to run at the scales required to reach exascale levels of computational performance on future system architectures. We document our approach for implementing a recently developed Lagrangian-Eulerian explicit hydrodynamics mini-application in each of these PGAS languages. Furthermore, we also present our results and experiences from scaling these different approaches to high node counts on two state-of-the-art, large scale system architectures from Cray (XC30) and SGI (ICE-X), and compare their utility against an equivalent existing MPI implementation. In aerodynamics related design, analysis and optimization problems, flow fields are simulated using computational fluid dynamics (CFD) solvers. However, CFD simulation is usually a computationally expensive, memory demanding and time consuming iterative process. These drawbacks of CFD limit opportunities for design space exploration and forbid interactive design. We propose a general and flexible approximation model for real-time prediction of non-uniform steady laminar flow in a 2D or 3D domain based on convolutional neural networks (CNNs). We explored alternatives for the geometry representation and the network architecture of CNNs. We show that convolutional neural networks can estimate the velocity field two orders of magnitude faster than a GPU-accelerated CFD solver and four orders of magnitude faster than a CPU-based CFD solver at a cost of a low error rate. This approach can provide immediate feedback for real-time design iterations at the early stage of design. Compared with existing approximation models in the aerodynamics domain, CNNs enable an efficient estimation for the entire velocity field. Furthermore, designers and engineers can directly apply the CNN approximation model in their design space exploration algorithms without training extra lower-dimensional surrogate models.