high performance computing on graphics processing units: hgpu.org

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Parallel Computation of Non-Bonded Interactions in Drug Discovery: Nvidia GPUs vs. Intel Xeon Phi

Jianbin Fang, Ana Lucia Varbanescu, Baldomero Imbernon, Jose M. Cecilia, Horacio Perez-Sanchez

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Tags: Bioinformatics, Biology, CUDA, Electrostatics, Intel Xeon Phi, nVidia, Performance, Pharmaceuticals, Tesla K20

September 13, 2014 by hgpu

Parallel Simulation of Population Balance Model-Based Particulate Processes Using Multicore CPUs and GPUs

Anuj V. Prakash, Anwesha Chaudhury, Rohit Ramachandran

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Tags: CAD, Computer science, CUDA, nVidia, nVidia GeForce GTX 280, Pharmaceuticals

March 29, 2013 by hgpu

Parallel simulation of population balance model-based particulate processes using multi-core CPUs and GPUs

Anuj V. Prakash, Anwesha Chaudhury, Rohit Ramachandran

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Tags: Chemistry, Computer science, CUDA, nVidia, nVidia GeForce GTX 280, Pharmaceuticals

February 27, 2013 by hgpu

GPU-Accelerated High-Accuracy Molecular Docking using Guided Differential Evolution

Martin Simonsen, Mikael H. Christensen, Rene Thomsen, Christian N. S. Pedersen

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Tags: Biology, CUDA, Differential evolution, Medicine, nVidia, nVidia GeForce 8800 GT, Pharmaceuticals

February 5, 2013 by hgpu

Computational modeling of synthetic microbial biofilms

Timothy J Rudge, Paul J Steiner, Andrew Phillips, Jim Haseloff

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Tags: Biology, Biophysics, nVidia, nVidia Quadro FX 5800, OpenCL, Pharmaceuticals

July 28, 2012 by hgpu

Parallel Contour-Buildup Algorithm for the Molecular Surface

Michael Krone, Sebastian Grottel, Thomas Ertl

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Tags: Algorithms, Chemistry, CUDA, Molecular dynamics, Molecular surface, nVidia, nVidia GeForce GTX 580, Optimization, Pharmaceuticals, Visualization

December 20, 2011 by hgpu

Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs

Gines D. Guerrero, Horacio Perez-Sanchez, Wolfgang Wenzel, Jose M. Cecilia, Jose M. Garcia

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Tags: Bioinformatics, Biology, CUDA, nVidia, Optimization, Pharmaceuticals, Tesla C1060

October 30, 2011 by hgpu

RNA secondary structure prediction using dynamic programming algorithm – A review and proposed work

M.N. Osman, R. Abdullah, N. AbdulRashid

Tags: Biology, Macromolecule, Molecular simulation, Pharmaceuticals

June 2, 2011 by hgpu

Accelerating All-Atom Normal Mode Analysis with Graphics Processing Unit

Li Liu, Xiaofeng Liu, Jiayu Gong, Hualiang Jiang, Honglin Li

Tags: Biology, Chemistry, CUDA, Macromolecule, Molecular dynamics, nVidia, Pharmaceuticals

June 2, 2011 by hgpu

Large-scale mixer simulations using massively parallel GPU architectures

Charles A. Radeke, Benjamin J. Glasser, Johannes G. Khinast

Tags: Chemistry, CUDA, nVidia, Pharmaceuticals, Powder processing

November 8, 2010 by hgpu

Over-synchronization in GPU Programs

profile_util: simple C++ library to report memory, timing, thread affinity

Profile Util library: A quick and easy way to get MPI, OpenMP and GPU runtime information

MaC: Mamba CPU performance predictor

MambaCPU: Enhanced Correlation Mining with State Space Models for CPU Performance Prediction

Mixed-precision finite element kernels

Mixed-precision finite element kernels and assembly: Rounding error analysis and hardware acceleration

SHMT: The Simultaneous and Heterogenous Multithreading project

General-Purpose Computing on Tensor Processors

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

EnergyUCB-Bandit

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

See all packages

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high performance computing on graphics processing units: hgpu.org

Parallel Computation of Non-Bonded Interactions in Drug Discovery: Nvidia GPUs vs. Intel Xeon Phi

Parallel Simulation of Population Balance Model-Based Particulate Processes Using Multicore CPUs and GPUs

Parallel simulation of population balance model-based particulate processes using multi-core CPUs and GPUs

GPU-Accelerated High-Accuracy Molecular Docking using Guided Differential Evolution

Computational modeling of synthetic microbial biofilms

Parallel Contour-Buildup Algorithm for the Molecular Surface

Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs

RNA secondary structure prediction using dynamic programming algorithm – A review and proposed work

Accelerating All-Atom Normal Mode Analysis with Graphics Processing Unit

Large-scale mixer simulations using massively parallel GPU architectures

Recent source codes

Kokkidio: Kokkos+Eigen - write fast, readable multi-platform code

LLaMA-Inference-Bench

MATAR

Over-synchronization in GPU Programs

profile_util: simple C++ library to report memory, timing, thread affinity

MaC: Mamba CPU performance predictor

Mixed-precision finite element kernels

SHMT: The Simultaneous and Heterogenous Multithreading project

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

EnergyUCB-Bandit

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