activity
20072020
most citedHeterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

966 citations · 970 across the 6 of their papers we have counts for

collaborators

7 papers

physics.comp-ph2020★ 966 cited

Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

Szilárd Páll, Artem Zhmurov, Paul Bauer +5

The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude perfor…

cs.DC2019

Performance report and optimized implementations of Weather & Climate dwarfs on multi-node systems

Louis Douriez, Alan Gray, David Guibert +2

This document is one of the deliverable reports created for the ESCAPE project. ESCAPE stands for Energy-efficient Scalable Algorithms for Weather Prediction at Exascale. The proje…

cs.DC2019★ 2 cited

Performance report and optimized implementation of Weather & Climate Dwarfs on GPU, MIC and Optalysys Optical Processor

Cyril Mazauric, Erwan Raffin, Xavier Vigouroux +6

This document is one of the deliverable reports created for the ESCAPE project. ESCAPE stands for Energy-efficient Scalable Algorithms for Weather Prediction at Exascale. The proje…

cs.DC2016

A Lightweight Approach to Performance Portability with targetDP

Alan Gray, Kevin Stratford

Leading HPC systems achieve their status through use of highly parallel devices such as NVIDIA GPUs or Intel Xeon Phi many-core CPUs. The concept of performance portability across…

cs.DC2014★ 1 cited

targetDP: an Abstraction of Lattice Based Parallelism with Portable Performance

Alan Gray, Kevin Stratford

To achieve high performance on modern computers, it is vital to map algorithmic parallelism to that inherent in the hardware. From an application developer's perspective, it is als…

hep-lat2010★ 1 cited

Improved automated lattice perturbation theory in background field gauge

T. C. Hammant, R. R. Horgan, C. J. Monahan +5

We present an algorithm to automatically derive Feynman rules for lattice perturbation theory in background field gauge. Vertices with an arbitrary number of both background and qu…