high performance computing on graphics processing units: hgpu.org

Styliani Loukatou, Louis Papageorgiou, Paraskevas Fakourelis, Arianna Filntisi, Eleftheria Polychronidou, Ioannis Bassis, Vasileios Megalooikonomou, Wojciech Makalowski, Dimitrios Vlachakis, Sophia Kossida

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Tags: Bioinformatics, Biology, Chemistry, CUDA, Medicine, Molecular dynamics, nVidia, OpenCL, Physics

July 4, 2014 by hgpu

Evaluating CP2K on Exascale Hardware: Intel Xeon Phi

Fiona Reid, Iain Bethune

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Tags: Chemistry, Intel Xeon Phi, Molecular dynamics, MPI, OpenMP

June 15, 2014 by hgpu

Enabling CP2K Application for Exascale Computing with Accelerators using OpenACC and OpenCL

Mariusz Uchronski, Agnieszka Kwiecien, Marcin Gebarowski

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Tags: ATI, ATI Radeon HD 6950, Chemistry, CUDA, Matrix multiplication, Molecular simulation, MPI, nVidia, OpenACC, OpenCL, Sparse matrix, Tesla M2075

May 16, 2014 by hgpu

EnergyUCB-Bandit

Online Energy Optimization in GPUs: A Multi-Armed Bandit Approach

Superpipeline: A Universal Approach for Reducing GPU Memory Usage in Large Models

Faial: finds bugs in CUDA kernels

Sound and Partially-Complete Static Analysis of Data-Races in GPU Programs

Effects of OpenCL-Based Parallelization Methods on Explicit Numerical Methods to Solve the Heat Equation

UVaFTLE: Lagrangian finite time Lyapunov exponent extraction for fluid dynamic applications

Challenging Portability Paradigms: FPGA Acceleration Using SYCL and OpenCL

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high performance computing on graphics processing units: hgpu.org

Applications

Optimization of Molecular Dynamics Simulation Code and Applications to Biomolecular Systems

Scalable Metropolis Monte Carlo for simulation of hard shapes

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Generating Efficient Tensor Contractions for GPUs

Quantum Chemistry for Solvated Molecules on Graphical Processing Units (GPUs) using Polarizable Continuum Models

Nucleation Studies on Graphics Processing Units

Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

New efficient integral algorithms for quantum chemistry

Cell Charge Approximation for Accelerating Molecular Simulation on CUDA-Enabled GPU

Molecular dynamics simulations through GPU video games technologies

Evaluating CP2K on Exascale Hardware: Intel Xeon Phi

Enabling CP2K Application for Exascale Computing with Accelerators using OpenACC and OpenCL

Recent source codes

EnergyUCB-Bandit

Superpipeline: A Universal Approach for Reducing GPU Memory Usage in Large Models

Faial: finds bugs in CUDA kernels

Effects of OpenCL-Based Parallelization Methods on Explicit Numerical Methods to Solve the Heat Equation

Intel® SHMEM: Device initiated shared memory based communication library

miniLB: Lattice Botlzmann miniapp w/SYCL

AFOCL

2domination

MFC: Exascale simulation of multiphase/physics fluid dynamics

UVaFTLE: Lagrangian finite time Lyapunov exponent extraction for fluid dynamic applications

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