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Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

Szilárd Páll, Artem Zhmurov, Paul Bauer, Mark Abraham, Magnus Lundborg, Alan Gray, Berk Hess, Erik Lindahl

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Tags: Algorithms, AMD Radeon Instinct Mi50, AMD Vega FE, ATI, Chemistry, CUDA, Heterogeneous systems, Molecular dynamics, MPI, nVidia, nVidia GeForce RTX 2080, nVidia Quadro P 6000, OpenCL, Package, Tesla V100

June 21, 2020 by hgpu

FlashPDE: Triton-fused PDE stencil kernels for physics-informed neural networks

FlashPDE: A Drop-In Fused Triton Operator Library for Neural PDE Solvers

PortLBM: Portable GPU-accelerated Lattice Boltzmann Method Simulations

PortLBM: A Portable Lattice Boltzmann Tool Leveraging SYCL on AMD, NVIDIA, and Intel GPUs

Harness Engineering for LLM-Driven GPU Kernel Generation

Harness Engineering for LLM-Driven GPU Kernel Generation

CANNBot Skills

Compiler-Grounded Hierarchical Diagnosis for LLM-Based Triton Kernel Optimization

NVIDIA Object Oriented Agents

NVIDIA-labs OO Agents: Native Python Object-Oriented Agents

UniCoder: Unified Visual-to-Code Generation via Symbolic Rewards and Reference-Guided Code Optimization

UniCoder: Unified Visual-to-Code Generation via Symbolic Rewards and Reference-Guided Code Optimization

CuFuzz: An API-Knowledge-Graph Coverage-Driven Fuzzing Framework for CUDA Libraries

CuFuzz: An API-Knowledge-Graph Coverage-Driven Fuzzing Framework for CUDA Libraries

AutoPass: Evidence-Guided LLM Agents for Compiler Performance Tuning

AutoPass: Evidence-Guided LLM Agents for Compiler Performance Tuning

Probe-and-Refine Tuning of Repository Guidance for AI Coding Agents

Probe-and-Refine Tuning of Repository Guidance for Coding Agents

CUDAnalyst (CUDA + Analyst)

Towards Feedback-to-Plan Decisions for Self-Evolving LLM Agents in CUDA Kernel Generation

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