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Accelerating molecular dynamic simulation on graphics processing units

Mark S. Friedrichs, Peter Eastman, Vishal Vaidyanathan, Mike Houston, Scott Legrand, Adam L. Beberg, Daniel L. Ensign, Christopher M. Bruns, Vijay S. Pande

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Tags: ATI, ATI Radeon HD 4870, ATI Stream, Biology, Brook, Chemistry, Computational chemistry, Molecular dynamics, nVidia, nVidia GeForce GTX 280, Package, Solvent effects

October 30, 2010 by hgpu

Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approach

Tetsu Narumi, Kenji Yasuoka, Makoto Taiji, Siegfried Hofinger

Tags: ASIC, Chemistry, Computational chemistry, MDGRAPE, Poisson Boltzmann, Solvent effects

October 29, 2010 by hgpu

An Implementation of the Smooth Particle Mesh Ewald Method on GPU Hardware

M. J. Harvey, G. De Fabritiis

Tags: Chemistry, Computational chemistry, Molecular dynamics, nVidia

October 28, 2010 by hgpu

KernelZero: Co-Evolving Proposer and Coder for Continuously Improved GPU Kernel Generation

Introduction to Computer Vision

ACT: Accelerator Compiler Toolkit

Automatically Generating ML Compiler Backends from Tensor Accelerator ISA Descriptions

pytest-gpu-proof: A Simple Pytest Extension for Local GPU Code Testing

pytest-gpu-proof: Enabling Cloud-CPU Continuous Integration for GPU Code with Local GPU Attestation

Accelerating the Mitigation of LLM Inference Nondeterminism Across GPU Architectures

AutoTuneBench: Trustworthy Measurement for Agent Auto-Tuning of LLM Serving Engines

nvsass-disassembler

Automated Instruction Encoding Synthesis for Modern GPU ISA Compression

PrefixBench-H100: Characterizing Prefix Reuse and Time-to-First-Token in H100 LLM Serving

FP4 FlashAttention forward, backward, and TorchTitan reproduction code

Hardware-Aware FP4 FlashAttention-4

EinsummableV3 - graph-based computation with tensor operations support

Every Kernel Is a Join: Automatic Multi-GPU Parallelism for AI Computations in Einsummable

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