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Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

Marcos Novalbos, Jaime Gonzalez, Miguel A. Otaduy, Roberto Martinez Benito, Alberto Sanchez

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Tags: Algorithms, Biomolecules, Chemistry, CUDA, Electrostatic potential, Electrostatics, FFT, Molecular dynamics, Multilevel summation, N-body simulation, nVidia, nVidia GeForce GTX 580, nVidia GeForce GTX Titan

September 15, 2014 by hgpu

Multilevel summation of electrostatic potentials using graphics processing units

David J. Hardy, John E. Stone, Klaus Schulten

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Tags: Chemistry, CUDA, Electrostatics, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce GTX 280, Physics, Tesla C870, Tesla D870

November 2, 2010 by hgpu

Accelerating molecular modeling applications with graphics processors

John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten

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Tags: Chemistry, Computational chemistry, CUDA, Electrostatic potential, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce 8800 GTX

October 30, 2010 by hgpu

Futhark

Bounds Checking on GPU

OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids

OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids

Stanza: A Python NLP Library for Many Human Languages

Biomedical and Clinical English Model Packages in the Stanza Python NLP Library

Benchmark for sparse-dense matrix multiplications

Optimizing Block-Sparse Matrix Multiplications on CUDA with TVM

Darknet on OpenCL: a multi-platform tool for object detection and classification

Darknet on OpenCL: a multi-platform tool for object detection and classification

3DES on Nvidia GPUs

Bit-level Parallelization of 3DES Encryption on GPU

SONIC: (Services for Optimized Network Inference on Coprocessors) for CMS

GPU coprocessors as a service for deep learning inference in high energy physics

UVMBench: A Comprehensive Benchmark Suite for Researching Unified Virtual Memory in GPUs

UVMBench: A Comprehensive Benchmark Suite for Researching Unified Virtual Memory in GPUs

Offload Annotations: Bringing Heterogeneous Computing to Existing Libraries and Workloads

Offload Annotations: Bringing Heterogeneous Computing to Existing Libraries and Workloads

ComPyle: execute a subset of Python on HPC platforms

Compyle: a Python package for parallel computing

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