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One of the current challenges in physically-based simulations, and, more specifically, fluid simulations, is to produce visually appealing results at interactive rates, capable of being used in multiple forms of media. In recent times, a…
We discuss the efficiency of parallelization on graphical processing units (GPUs) for the simulation of the one dimensional Potts model with long range interactions via parallel tempering. We investigate the behaviour of some thermodynamic…
We investigate the parallel performance of Parallel Spectral Deferred corrections, a numerical approach that provides small-scale parallelism for the numerical solution of initial value problems. The scheme is applied to the shallow-water…
We present a detailed benchmark comparing two state-of-the-art phase-field implementations for simulating alloy solidification under experimentally relevant conditions. The study investigates the directional solidification of Al-3wt%Cu…
We investigate and characterize the performance of an important class of operations on GPUs and Many Integrated Core (MIC) architectures. Our work is motivated by applications that analyze low-dimensional spatial datasets captured by high…
For a deep learning model, efficient execution of its computation graph is key to achieving high performance. Previous work has focused on improving the performance for individual nodes of the computation graph, while ignoring the…
Integration of CPU and GPU technologies is a key enabler for modern AI and graphics workloads, combining control-oriented processing with massive parallel compute capability. As systems evolve toward chiplet-based architectures, pre-silicon…
Current AI training infrastructure is dominated by single instruction multiple data (SIMD) and systolic array architectures, such as Graphics Processing Units (GPUs) and Tensor Processing Units (TPUs), that excel at accelerating parallel…
In this paper we solve on GPUs massive problems with large amount of data, which are not appropriate for solution with the SIMD technology. For the given problem we consider a three-level parallelization. The multithreading of CPU is used…
Many emerging cyber-physical systems, such as autonomous vehicles and robots, rely heavily on artificial intelligence and machine learning algorithms to perform important system operations. Since these highly parallel applications are…
We present a massive-parallel implementation of the resolution-of-identity (RI) coupled-cluster approach that includes single, double and perturbatively triple excitations, namely RI-CCSD(T), in the FHI-aims package for molecular systems. A…
In 2013 Intel introduced the Xeon Phi, a new parallel co-processor board. The Xeon Phi is a cache-coherent many-core shared memory architecture claiming CPU-like versatility, programmability, high performance, and power efficiency. The…
Many important real-world applications, such as System Identification with Gaussian Processes, involve solving linear systems with symmetric positive-definite matrices. The iterative CG method and direct solvers based on the Cholesky…
COVID-19 has shown the importance of having a fast response against pandemics. Finding a novel drug is a very long and complex procedure, and it is possible to accelerate the preliminary phases by using computer simulations. In particular,…
Parallel-across-the method time integration can provide small scale parallelism when solving initial value problems. Spectral deferred corrections (SDC) with a diagonal sweeper, which is closely related to iterated Runge-Kutta methods…
In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…
We present an efficient parallel algorithm for statistical Molecular Dynamics simulations of ion tracks in solids. The method is based on the Rare Event Enhanced Domain following Molecular Dynamics (REED-MD) algorithm, which has been…
We present a computational method for extreme-scale simulations of incompressible turbulent wall flows at high Reynolds numbers. The numerical algorithm extends a popular method for solving second-order finite differences Poisson/Helmholtz…
High performance computing for low power devices can be useful to speed up calculations on processors that use a lower clock rate than computers for which energy efficiency is not an issue. In this trial, different high performance…
We modified a MPI-friendly density functional theory (DFT) source code within hybrid parallelization including CUDA. Our objective is to find out how simple conversions within the hybrid parallelization with mid-range GPUs affect DFT code…