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JAX, M.D.: End-to-End Differentiable, Hardware Accelerated, Molecular Dynamics in Pure Python

Samuel S. Schoenholz, Ekin D. Cubuk

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Tags: Biochemistry, Chemistry, Computational Physics, CUDA, Fortran, Machine learning, Materials Science, Molecular dynamics, Neural networks, nVidia, Package, Physics, Python

December 15, 2019 by hgpu

PySPH: a Python-based framework for smoothed particle hydrodynamics

Prabhu Ramachandran, Kunal Puri, Aditya Bhosale, A Dinesh, Abhinav Muta, Pawan Negi, Rahul Govind, Suraj Sanka, Pankaj Pandey, Chandrashekhar Kaushik, Anshuman Kumar, Ananyo Sen, Rohan Kaushik, Mrinalgouda Patil, Deep Tavker, Dileep Menon, Vikas Kurapati, Amal S Sebastian, Arkopal Dutt, Arpit Agarwal

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Tags: cfd, Computational Physics, CUDA, Fluid dynamics, Mathematical Software, nVidia, nVidia GeForce GTX 1050 Ti, OpenCL, Package

September 15, 2019 by hgpu

Efficient Interleaved Batch Matrix Solvers for CUDA

Andrew Gloster, Enda Carroll, Miguel Bustamante, Lennon O'Naraigh

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Tags: Algorithms, Computational Physics, Computer science, CUDA, Matrix inversion, nVidia, Package, Tesla V100

September 15, 2019 by hgpu

Efficient Simulation of Fluid Flow and Transport in Heterogeneous Media Using Graphics Processing Units (GPUs)

Hassan Dashtian, Muhammad Sahimi

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Tags: Computational Physics, CUDA, Heterogeneous systems, nVidia, nVidia GeForce GTX 880, Physics

August 18, 2019 by hgpu

Simple Iterative Incompressible Smoothed Particle Hydrodynamics

Abhinav Muta, Prabhu Ramachandran, Pawan Negi

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Tags: Benchmarking, Computational Physics, Fluid dynamics, Laplace and Poisson equation, nVidia, nVidia GeForce GTX 1050 Ti, nVidia GeForce GTX 1070 Ti, OpenCL, Package, Poisson equation

August 11, 2019 by hgpu

Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel’s HPC Architectures: a Living Review [Article v1.0]

Luc-Henri Jolly, Alejandro Duran, Louis Lagardere, Jay W. Ponder, Pengyu Ren, Jean-Philip Piquemal

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Tags: Chemical Physics, Computational Physics, Computer science, Intel Xeon Phi, Mathematical Software, Molecular dynamics, Molecular modeling, OpenMP, Package

June 5, 2019 by hgpu

cuSten – CUDA Finite Difference and Stencil Library

Andrew Gloster, Lennon O'Naraigh

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Tags: Computational Physics, Computer science, CUDA, Finite difference, MPI, nVidia, nVidia GeForce GTX Titan X, Package, PDEs

March 3, 2019 by hgpu

A Package for Multi-Dimensional Monte Carlo Integration on Multi-GPUs

Hong-zhong Wu, Junjie Zhang, Long-gang Pang, Qun Wang

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Tags: Computational Physics, Monte Carlo integration, nVidia, Package, Physics, Python, TensorFlow, Tesla K40

February 24, 2019 by hgpu

Using SIMD and SIMT vectorization to evaluate sparse chemical kinetic Jacobian matrices and thermochemical source terms

Nicholas J. Curtis, Kyle E. Niemeyer, Chih-Jen Sung

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Tags: Chemical Physics, Code generation, Computational Physics, Factorization, nVidia, OpenCL, Package, Physics, Tesla C2075, Tesla K40

September 9, 2018 by hgpu

Cracks in the Sky: Abelian-Higgs Cosmic String Evolution with CUDA

J. R. C. C. C. Correia, C. J. A. P. Martins

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Tags: Computational Physics, CUDA, High Energy Physics - Phenomenology, nVidia, nVidia Quadro P 5000, Physics

September 9, 2018 by hgpu

cuPentBatch – A batched pentadiagonal solver for NVIDIA GPUs

Andrew Gloster, Lennon O Naraigh, Khang Ee Pang

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Tags: Computational Physics, CUDA, Differential equations, nVidia, nVidia GeForce GTX Titan X, Package, Partial differential equations, PDEs, Physics

July 21, 2018 by hgpu

Strategies for the Heterogeneous Execution of Large-Scale Simulations on Hybrid Supercomputers

Xavier Alvarez, Andrey Gorobets, F. Xavier Trias

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Tags: cfd, Computational Physics, Fluid dynamics, Heterogeneous systems, HPC, Hybrid computing, MPI, nVidia, OpenCL, Sparse matrix, Tesla K40

June 24, 2018 by hgpu

MNN: a lightweight deep neural network inference engine

An Image Enhancing Pattern-based Sparsity for Real-time Inference on Mobile Devices

SolidTextureNets

On Demand Solid Texture Synthesis Using Deep 3D Networks

md_poly: A Performance-Portable Polyhedral Compiler Based on Multi-Dimensional Homomorphisms

deepnetts: Deep Netts Pure Java Deep Learning Engine

Towards High Performance Java-based Deep Learning Frameworks

PASTA: A Parallel Sparse Tensor Algorithm Benchmark Suite

A Parallel Sparse Tensor Benchmark Suite on CPUs and GPUs

TACO: The Tensor Algebra Compiler (taco) computes sparse tensor expressions on CPUs and GPUs

A Unified Iteration Space Transformation Framework for Sparse and Dense Tensor Algebra

OpenCL-FPGA-LLVM: LLVM-based automation of memory decoupling for OpenCL applications on FPGAs

LLVM-based automation of memory decoupling for OpenCL applications on FPGAs

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2019

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13-15

Boston, USA

7th International Workshop on OpenCL, 2019

2019

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Boston, MA, USA

Distributed Heterogeneous Programming in C/C++ (DHPCC++), 2019

2019

May

Larnaca, Cyprus

3rd International Workshop on Theoretical Approaches to Performance Evaluation, Modeling and Simulation (TAPEMS), 2019

2019

July

26-28

Rome, Italy

International Conference on Frontiers of Neural Networks (ICFNN), 2019

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high performance computing on graphics processing units: hgpu.org

JAX, M.D.: End-to-End Differentiable, Hardware Accelerated, Molecular Dynamics in Pure Python

PySPH: a Python-based framework for smoothed particle hydrodynamics

Efficient Interleaved Batch Matrix Solvers for CUDA

Efficient Simulation of Fluid Flow and Transport in Heterogeneous Media Using Graphics Processing Units (GPUs)

Simple Iterative Incompressible Smoothed Particle Hydrodynamics

Raising the Performance of the Tinker-HP Molecular Modeling Package on Intel’s HPC Architectures: a Living Review [Article v1.0]

cuSten – CUDA Finite Difference and Stencil Library

A Package for Multi-Dimensional Monte Carlo Integration on Multi-GPUs

Using SIMD and SIMT vectorization to evaluate sparse chemical kinetic Jacobian matrices and thermochemical source terms

Cracks in the Sky: Abelian-Higgs Cosmic String Evolution with CUDA

cuPentBatch – A batched pentadiagonal solver for NVIDIA GPUs

Strategies for the Heterogeneous Execution of Large-Scale Simulations on Hybrid Supercomputers

Recent source codes

MNN: a lightweight deep neural network inference engine

SolidTextureNets

md_poly: A Performance-Portable Polyhedral Compiler Based on Multi-Dimensional Homomorphisms

deepnetts: Deep Netts Pure Java Deep Learning Engine

PASTA: A Parallel Sparse Tensor Algorithm Benchmark Suite

TACO: The Tensor Algebra Compiler (taco) computes sparse tensor expressions on CPUs and GPUs

OpenCL-FPGA-LLVM: LLVM-based automation of memory decoupling for OpenCL applications on FPGAs

CUDAnative.jl: Julia support for native CUDA programming

GPU explicit-state model checking

OCLADock: OpenCL Accelerated Molecular Docking

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Featured events

8th International Workshop on OpenCL, including SYCLCon, 2019

7th International Workshop on OpenCL, 2019

Distributed Heterogeneous Programming in C/C++ (DHPCC++), 2019

3rd International Workshop on Theoretical Approaches to Performance Evaluation, Modeling and Simulation (TAPEMS), 2019

International Conference on Frontiers of Neural Networks (ICFNN), 2019