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OpenMP is a cross-platform API that extends C, C++ and Fortran and provides shared-memory parallelism platform for those languages. The use of many cores and HPC technologies for scientific computing has been spread since the 1990s, and now…
The non-equidistant fast Fourier transform (NFFT) is an extension of the famous fast Fourier transform (FFT), which can be applied to non-equidistantly sampled data in time/space or frequency domain. It is an approximative algorithm that…
Recent work has proposed a promising approach to improving scalability of program synthesis by allowing the user to supply a syntactic template that constrains the space of potential programs. Unfortunately, creating templates often…
Nonequispaced discrete Fourier transformation (NDFT) is widely applied in all aspects of computational science and engineering. The computational efficiency and accuracy of NDFT has always been a critical issue in hindering its…
Federated scheduling is a promising approach to schedule parallel real-time tasks on multi-cores, where each heavy task exclusively executes on a number of dedicated processors, while light tasks are treated as sequential sporadic tasks and…
This article describes a geometric partitioning software that can be used for quick computation of data partitions on many-core HPC machines. It is most suited for dynamic applications with load distributions that vary with time.…
Current algorithms for large-scale industrial optimization problems typically face a trade-off: they either require exponential time to reach optimal solutions, or employ problem-specific heuristics. To overcome these limitations, we…
We present a new open-source cosmological code, called SWIFT, designed to solve the equations of hydrodynamics using a particle-based approach (Smooth Particle Hydrodynamics) on hybrid shared/distributed-memory architectures. SWIFT was…
Graphics Processing Units (GPUs) and other parallel devices are widely available and have the potential for accelerating a wide class of algorithms. However, expert programming skills are required to achieving maximum performance. hese…
MDMP is a new parallel programming approach that aims to provide users with an easy way to add parallelism to programs, optimise the message passing costs of traditional scientific simulation algorithms, and enable existing MPI-based…
In order to run Computational Fluid Dynamics (CFD) codes on large scale infrastructures, parallel computing has to be used because of the computational intensive nature of the problems. In this paper we investigate the ADAPT platform where…
We investigate a parallelization strategy for dense matrix factorization (DMF) algorithms, using OpenMP, that departs from the legacy (or conventional) solution, which simply extracts concurrency from a multithreaded version of BLAS. This…
We present a new method for performing global redistributions of multidimensional arrays essential to parallel fast Fourier (or similar) transforms. Traditional methods use standard all-to-all collective communication of contiguous memory…
Technical computing is a challenging application area for programming languages to address. This is evinced by the unusually large number of specialized languages in the area (e.g. MATLAB, R), and the complexity of common software stacks,…
Increased demands in the field of scientific computation require that algorithms be more efficiently implemented. Maintaining correctness in addition to efficiency is a challenge that software engineers in the field have to face. In this…
The Fast Fourier Transform (FFT) is a numerical operation that transforms a function into a form comprised of its constituent frequencies and is an integral part of scientific computation and data analysis. The objective of our work is to…
Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…
It is well known that modern functional programming languages are naturally amenable to parallel programming. Achieving efficient parallelism using functional languages, however, remains difficult. Perhaps the most important reason for this…
The plane wave method is most widely used for solving the Kohn-Sham equations in first-principles materials science computations. In this procedure, the three-dimensional (3-dim) trial wave functions' fast Fourier transform (FFT) is a…
We present FooPar, an extension for highly efficient Parallel Computing in the multi-paradigm programming language Scala. Scala offers concise and clean syntax and integrates functional programming features. Our framework FooPar combines…