high performance computing on graphics processing units: hgpu.org

hgpu.org » coarse-grained MD simulations

Parallel Verlet neighbor list algorithm for GPU-optimized MD simulations

Tyson J. Lipscomb, Anqi Zou, Samuel S. Cho

View

Tags: coarse-grained MD simulations, CUDPP, CURAND, energy drift, floating point analysis

October 26, 2012 by samcho

hpcbench: A set of benchmarking utilities for biomolecular simulation tools

Engineering Supercomputing Platforms for Biomolecular Applications

HPCTransCompile: An AI Compiler Generated Dataset for High-Performance CUDA Transpilation and LLM Preliminary Exploration

HPCTransCompile: An AI Compiler Generated Dataset for High-Performance CUDA Transpilation and LLM Preliminary Exploration

chemtrain: Training Molecular Dynamics Potentials in JAX

chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations

microSYCL: SYCL micro-benchmarks repository

Exploring SYCL as a Portability Layer for High-Performance Computing on CPUs

XaaS containers

Acceleration as a Service (XaaS) Source Containers

CASS: Cuda-Amd aSSembly

CASS: Nvidia to AMD Transpilation with Data, Models, and Benchmark

Cluser of smartphones for edge computing application using TensorFlow

Low-cost edge computing using upcycled smartphones

SYCL Container

Exploring SYCL for batched kernels with memory allocations

Efficient Graph Embedding at Scale: Optimizing CPU-GPU-SSD Integration

Efficient Graph Embedding at Scale: Optimizing CPU-GPU-SSD Integration

Can Large Language Models Predict Parallel Code Performance?

Can Large Language Models Predict Parallel Code Performance?

See all packages

* * *

* * *

HGPU group © 2010-2025 hgpu.org

All rights belong to the respective authors

Login | Sitemap | Feedback | Policy

Contact us:

contact@hpgu.org