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APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics

Hyun Park, Parth Patel, Roland Haas, E. A. Huerta

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Tags: AI, Algorithms, Biology, Biomolecules, Biophysics, nVidia, nVidia A100, nVidia A40, Package

August 20, 2023 by hgpu

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems

Olivier Adjoua, Louis Lagardère, Luc-Henri Jolly, Arnaud Durocher, Thibaut Very, Isabelle Dupays, Zhi Wang, Théo Jaffrelot Inizan, Frédéric Célerse, Pengyu Ren, Jay W. Ponder, Jean-Philip Piquemal

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Tags: Biophysics, Computational Physics, CUDA, Molecular dynamics, nVidia, nVidia DGX-A100, OpenACC, Package, Physics, Tesla V100

November 8, 2020 by hgpu

An optimizing multi-platform source-to-source compiler framework for the NEURON MODeling Language

Pramod Kumbhar, Omar Awile, Liam Keegan, Jorge Blanco Alonso, James King, Michael Hines, Felix Schuermann

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Tags: Biophysics, Code generation, Compilers, Computer science, CUDA, HPC, Intel Xeon Phi, LLVM, nVidia, OpenACC, OpenMP, Package

May 15, 2019 by hgpu

Dynamic Parallelism in GPU Optimized Barnes Hut Trees for Molecular Dynamics Simulations

Melisa Carranza Zuniga

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Tags: Algorithms, Biology, Biomolecules, Biophysics, Chemistry, CUDA, Molecular dynamics, nVidia, nVidia GeForce GTX 480, Physics, Thesis

August 26, 2017 by hgpu

Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units

Ruxi Qi, Wesley M. Botello-Smith, Ray Luo

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Tags: Biomolecules, Biophysics, Boltzmann equation, Computational Physics, CUBLAS, CUDA, Electrostatics, Molecular simulation, nVidia, nVidia GeForce GTX 980 Ti, Physics, Poisson Boltzmann

April 11, 2017 by hgpu

BrainFrame: A heterogeneous accelerator platform for neuron simulations

Georgios Smaragdos, Georgios Chatzikonstantis, Rahul Kukreja, Harrys Sidiropoulos, Dimitrios Rodopoulos, Ioannis Sourdis, Zaid Al-Ars, Christoforos Kachris, Dimitrios Soudris, Chris I. De Zeeuw, Christos Strydis

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Tags: Biophysics, Computer science, Heterogeneous systems, Intel Xeon Phi, Neural and Evolutionary Computing, nVidia, nVidia GeForce GTX Titan X, OpenMP

December 10, 2016 by hgpu

A Software Framework for the Detection and Classification of Biological Targets in Bio-Nano Sensing

Abdul Hafeez

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Tags: Biology, Biophysics, CUDA, Distributed computing, Filtering, nVidia, nVidia Quadro FX 580, Sensing, Thesis

September 19, 2014 by hgpu

Understanding Protein Dynamics with L1-Regularized Reversible Hidden Markov Models

Robert T. McGibbon, Bharath Ramsundar, Mohammad M. Sultan, Gert Kiss, Vijay S. Pande

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Tags: Algorithms, Biology, Biophysics, CUDA, Distributed computing, Machine learning, Molecular dynamics, nVidia, nVidia GeForce GTX Titan

May 9, 2014 by hgpu

Accelerating GPU Programs by Reducing Irregular Control Flow and Memory Access

Tomohiro Okuyama

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Tags: Algorithms, Biophysics, CUDA, Differential equations, Heterogeneous systems, nVidia, ODEs, Ordinary differential equations, Physics, Tesla C2070, Thesis

June 18, 2013 by hgpu

Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods

Christopher Cooper, Lorena A. Barba

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Tags: Bioinformatics, Biophysics, Boltzmann equation, Computational Physics, Computer science, CUDA, Electrostatics, nVidia, Package, Physics, Poisson Boltzmann, Python, Tesla C2075

January 31, 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

Large Speed Increase Using Novel GPU Based Algorithms to Simulate Cardiac Excitation Waves in a Rabbit Ventricle

Jonathan Higham, Oleg Aslanidi, Henggui Zhang

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Tags: Algorithms, Biophysics, CUDA, Heart, Medicine, nVidia, nVidia GeForce GT 330 M

January 1, 2012 by hgpu

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

Kokkidio: Fast, expressive, portable code, based on Kokkos and Eigen

LLaMA-Inference-Bench

LLM-Inference-Bench: Inference Benchmarking of Large Language Models on AI Accelerators

MATAR

On a Simplified Approach to Achieve Parallel Performance and Portability Across CPU and GPU Architectures

Over-synchronization in GPU Programs

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

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

EnergyUCB-Bandit

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

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