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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

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Comparing Llama-2 and GPT-3 LLMs for HPC kernels generation

Scope is all you need: Transforming LLMs for HPC Code

Scope is all you need: Transforming LLMs for HPC Code

pocl - Portable Computing Language

PoCL-R: An Open Standard Based Offloading Layer for Heterogeneous Multi-Access Edge Computing with Server Side Scalability

HPAC-Offload: Accelerating HPC Applications with Portable Approximate Computing on the GPU

HPAC-Offload: Accelerating HPC Applications with Portable Approximate Computing on the GPU

openCLDispatcher

Novel insights on atomic synchronization for sort-based group-by on GPUs

CEED Benchmarks

Performant low-order matrix-free finite element kernels on GPU architectures

Sieve: Stratified GPU-Compute Workload Sampling

Sieve: Stratified GPU-Compute Workload Sampling

EngineCL: Usability and Performance in Heterogeneous Computing

Mashing load balancing algorithm to boost hybrid kernels in molecular dynamics simulations

Ginkgo: high-performance linear algebra library for manycore systems

Porting Batched Iterative Solvers onto Intel GPUs with SYCL

AlphaFold2

APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics

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