Search results for "Massively parallel"
showing 3 items of 23 documents
cuBool: Bit-Parallel Boolean Matrix Factorization on CUDA-Enabled Accelerators
2018
Boolean Matrix Factorization (BMF) is a commonly used technique in the field of unsupervised data analytics. The goal is to decompose a ground truth matrix C into a product of two matrices A and $B$ being either an exact or approximate rank k factorization of C. Both exact and approximate factorization are time-consuming tasks due to their combinatorial complexity. In this paper, we introduce a massively parallel implementation of BMF - namely cuBool - in order to significantly speed up factorization of huge Boolean matrices. Our approach is based on alternately adjusting rows and columns of A and B using thousands of lightweight CUDA threads. The massively parallel manipulation of entries …
Efficient mesoscale hydrodynamics: Multiparticle collision dynamics with massively parallel GPU acceleration
2018
Abstract We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU architectures and communication patterns between multiple GPUs. We show that a mixed-precision computing model can improve performance compared to a fully double-precision model while still providing good numerical accuracy. We report weak and strong scaling benchmarks of a reference MPCD solvent and a benchmark of a polymer solution with research-relevant interactions and system size. Our MPCD software enables simulations of mesoscale hydrodynamics at lengt…
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
2020
Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind,…