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GPUs are the heart of the latest generations of supercomputers. We efficiently accelerate a compressible multiphase flow solver via OpenACC on NVIDIA and AMD Instinct GPUs. Optimization is accomplished by specifying the directive clauses…
Data pre-processing is a fundamental component in any data-driven application. With the increasing complexity of data processing operations and volume of data, Cylon, a distributed dataframe system, is developed to facilitate data…
A hybrid-parallel direct-numerical-simulation method with application to turbulent Taylor-Couette flow is presented. The Navier-Stokes equations are discretized in cylindrical coordinates with the spectral Fourier-Galerkin method in the…
A new flow solver scalable on multiple Graphics Processing Units (GPUs) for direct numerical simulation of wall-bounded incompressible flow is presented. This solver utilizes a previously reported work (J. Comp. Physics, vol. 352 (2018),…
This paper describes the numerical implementation in a high-performance computing environment of an open-source library for model order reduction in fluid dynamics. This library, called pyLOM, contains the algorithms of proper orthogonal…
We present PyFLOSIC, an open-source, general-purpose Python implementation of the Fermi-L\"owdin orbital self-interaction correction (FLO-SIC), which is based on the Python simulation of chemistry frame-work (PySCF) electronic structure and…
This study presents scaling results and a performance analysis across different supercomputers and compilers for the Met Office weather and climate model, LFRic. The model is shown to scale to large numbers of nodes which meets the design…
With the rapidly growing demand for computing power new accelerator based architectures have entered the world of high performance computing since around 5 years. In particular GPGPUs have recently become very popular, however programming…
In this paper, we present an early version of a SYCL-based FFT library, capable of running on all major vendor hardware, including CPUs and GPUs from AMD, ARM, Intel and NVIDIA. Although preliminary, the aim of this work is to seed further…
Artificial intelligence necessitates adaptable hardware accelerators for efficient high-throughput million operations. We present pipelined architecture with CORDIC block for linear MAC computations and nonlinear iterative Activation…
Digital processing-in-memory (PIM) architectures mitigate the memory wall problem by facilitating parallel bitwise operations directly within the memory. Recent works have demonstrated their algorithmic potential for accelerating…
Fluid flows are omnipresent in nature and engineering disciplines. The reliable computation of fluids has been a long-lasting challenge due to nonlinear interactions over multiple spatio-temporal scales. The compressible Navier-Stokes…
Modern OpenMP threading techniques are used to convert the MPI-only Hartree-Fock code in the GAMESS program to a hybrid MPI/OpenMP algorithm. Two separate implementations that differ by the sharing or replication of key data structures…
Incompressible fluid flow around a cylinder is one of the classical problems in fluid-dynamics with strong relevance with many real-world engineering problems, for example, design of offshore structures or design of a pin-fin heat…
Deep and shallow convection calculations occupy significant times in atmosphere models. These calculations also present significant load imbalances due to varying cloud covers over different regions of the grid. In this work, we accelerate…
Spiking Neural Networks (SNNs) offer promising energy efficiency advantages, particularly when processing sparse spike trains. However, their incompatibility with traditional datasets, which consist of batches of input vectors rather than…
Despite decades of advancements, the simulation of fluids remains one of the most challenging areas of in scientific computing. Supported by the necessity of gradient information in deep learning, differentiable simulators have emerged as…
This paper is focused on improving multi-GPU performance of a research CFD code on structured grids. MPI and OpenACC directives are used to scale the code up to 16 GPUs. This paper shows that using 16 P100 GPUs and 16 V100 GPUs can be…
This study proposes an algorithm for modeling compressible flows in spherical shells in nearly incompressible and weakly compressible regimes based on an implicit direction splitting approach. The method retains theoretically expected…
High-quality system-level message flow specifications can lead to comprehensive validation of system-on-chip (SoC) designs. We propose a disruptive method that utilizes an attention mechanism to produce accurate flow specifications from SoC…