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General purpose Molecular Dynamics Simulations on GPUs: Issues of Pair Forces and Scaling to large Clusters

Christian Trott, Lars Winterfeld

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Tags: Computational Physics, Condensed matter, CUDA, GPU cluster, Materials Science, Molecular dynamics, MPI, nVidia, nVidia GeForce GTX 280, nVidia GeForce GTX 295, Package, Performance, Physics, Tesla C1060, Tesla S1070

November 9, 2010 by hgpu

Molecular Dynamics Simulation of Macromolecules Using Graphics Processing Unit

Ji Xu, Ying Ren, Wei Ge, Xiang Yu, Xiaozhen Yang, Jinghai Li

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Tags: CUDA, Macromolecule, Materials Science, Molecular dynamics, nVidia, nVidia GeForce GT 200, Soft Condensed Matter

November 3, 2010 by hgpu

GPU-accelerated large-scale quantum molecular dynamics simulation of 3-dimensional C60 polymers

Toshiaki Iitaka

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Tags: Computational Physics, CUDA, Materials Science, Molecular dynamics, nVidia, nVidia GeForce 8800 GTX, Physics

October 28, 2010 by hgpu

CudaForge: An Agent Framework with Hardware Feedback for CUDA Kernel Optimization

CudaForge: An Agent Framework with Hardware Feedback for CUDA Kernel Optimization

LC Framework

Characterizing the Performance of Parallel Data-Compression Algorithms across Compilers and GPUs

pplx-garden: Perplexity open source garden for inference technology

RDMA Point-to-Point Communication for LLM Systems

Atlas CLI: Machine Learning (ML) Lifecycle & Transparency Manager

Scalable GPU-Based Integrity Verification for Large Machine Learning Models

transformers_tvm: Implementation of Encoder Decoder transformer on TVM

Enhancing Transformer Performance and Portability through Auto-tuning Frameworks

OpScanner

A Study of Floating-Point Precision Tuning in Deep Learning Operators Implementations

INT v.s. FP: A framework to compare low-bit integer and float-point formats

INT v.s. FP: A Comprehensive Study of Fine-Grained Low-bit Quantization Formats

AutoDock-GPU: AutoDock for GPUs and other accelerators

Architecting Tensor Core-Based Reductions for Irregular Molecular Docking Kernels

NCCLX: collective communication framework

Collective Communication for 100k+ GPUs

Tutoring LLM into a Better CUDA Optimizer

Tutoring LLM into a Better CUDA Optimizer

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