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Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

Marcos Novalbos, Jaime Gonzalez, Miguel A. Otaduy, Roberto Martinez Benito, Alberto Sanchez

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Tags: Algorithms, Biomolecules, Chemistry, CUDA, Electrostatic potential, Electrostatics, FFT, Molecular dynamics, Multilevel summation, N-body simulation, nVidia, nVidia GeForce GTX 580, nVidia GeForce GTX Titan

September 15, 2014 by hgpu

Multilevel summation of electrostatic potentials using graphics processing units

David J. Hardy, John E. Stone, Klaus Schulten

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Tags: Chemistry, CUDA, Electrostatics, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce GTX 280, Physics, Tesla C870, Tesla D870

November 2, 2010 by hgpu

Accelerating molecular modeling applications with graphics processors

John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten

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Tags: Chemistry, Computational chemistry, CUDA, Electrostatic potential, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce 8800 GTX

October 30, 2010 by hgpu

MegaTrain: Full Precision Training of 100B+ Parameter Large Language Models on a Single GPU

MegaTrain: Full Precision Training of 100B+ Parameter Large Language Models on a Single GPU

Device Virtual Machine (DVM)

DVM: Real-Time Kernel Generation for Dynamic AI Models

Agentic Code Optimization via Compiler-LLM Cooperation

Agentic Code Optimization via Compiler-LLM Cooperation

AutoKernel: Autoresearch for GPU kernels. Give it any PyTorch model, go to sleep, wake up to optimized Triton kernels

AutoKernel: Autonomous GPU Kernel Optimization via Iterative Agent-Driven Search

Triton-Sanitizer: A Fast and Device-Agnostic Memory Sanitizer for Triton with Rich Diagnostic Context

Triton-Sanitizer: A Fast and Device-Agnostic Memory Sanitizer for Triton with Rich Diagnostic Context

LLM.Q: Quantized LLM training in pure CUDA/C++

LLMQ: Efficient Lower-Precision LLM Training for Consumer GPUs

SOL-ExecBench: Speed-of-Light Benchmarking for Real-World GPU Kernels Against Hardware Limits

SOL-ExecBench: Speed-of-Light Benchmarking for Real-World GPU Kernels Against Hardware Limits

True 4-Bit Quantized CNN Training on CPU

True 4-Bit Quantized Convolutional Neural Network Training on CPU: Achieving Full-Precision Parity

cuFuzz: A GPU-oriented coverage-guided fuzzer for userland CUDA application

Hunting CUDA Bugs at Scale with cuFuzz

KernelSkill: A Multi-Agent Framework for GPU Kernel Optimization

KernelSkill: A Multi-Agent Framework for GPU Kernel Optimization

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